N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C101H104Cl4F5N29O14S10 — CID 158713414

IUPACN-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(NC(c3ccccc3)C(F)(F)F)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2sc(-c3cc4cccnc4[nH]3)cc2Cl)CS1(=O)=O.CN1C(N)=N[C@](C)(c2sc(-c3cc4ccncc4[nH]3)cc2Cl)CS1(=O)=O.CN1C(N)=N[C@](C)(c2sc(-c3cc4cnccc4[nH]3)cc2Cl)CS1(=O)=O.COc1nccc2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)s3)[nH]c12.[2H]c1cc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)cc1NC(=O)c1ccccn1
InChIInChI=1S/C19H20F4N4O2S.C17H18ClN5O3S2.C17H18FN5O3S.3C16H16ClN5O2S2/c1-18(11-30(28,29)27(2)17(24)26-18)14-10-13(8-9-15(14)20)25-16(19(21,22)23)12-6-4-3-5-7-12;1-17(8-28(24,25)23(2)16(19)22-17)14-10(18)7-12(27-14)11-6-9-4-5-20-15(26-3)13(9)21-11;1-17(10-27(25,26)23(2)16(19)22-17)12-9-11(6-7-13(12)18)21-15(24)14-5-3-4-8-20-14;1-16(8-26(23,24)22(2)15(18)21-16)14-10(17)6-13(25-14)12-5-9-7-19-4-3-11(9)20-12;1-16(8-26(23,24)22(2)15(18)21-16)14-10(17)6-13(25-14)11-5-9-3-4-19-7-12(9)20-11;1-16(8-26(23,24)22(2)15(18)21-16)13-10(17)7-12(25-13)11-6-9-4-3-5-19-14(9)20-11/h3-10,16,25H,11H2,1-2H3,(H2,24,26);4-7,21H,8H2,1-3H3,(H2,19,22);3-9H,10H2,1-2H3,(H2,19,22)(H,21,24);2*3-7,20H,8H2,1-2H3,(H2,18,21);3-7H,8H2,1-2H3,(H2,18,21)(H,19,20)/t16?,18-;2*17-;3*16-/m000000/s1/i;;6D;;;
InChIKeyIIZWVIGREDFPKY-RNKIZFPRSA-N
MW2506.61 g/mol
LogP15.63
Rot. Bonds16

About N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 158713414) has the molecular formula C101H104Cl4F5N29O14S10 and a molecular weight of 2506.61 g/mol. Its IUPAC name is N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound NameN-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID158713414
Molecular FormulaC101H104Cl4F5N29O14S10
Molecular Weight2506.61 g/mol
Exact Mass2502.43
IUPAC NameN-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(NC(c3ccccc3)C(F)(F)F)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2sc(-c3cc4cccnc4[nH]3)cc2Cl)CS1(=O)=O.CN1C(N)=N[C@](C)(c2sc(-c3cc4ccncc4[nH]3)cc2Cl)CS1(=O)=O.CN1C(N)=N[C@](C)(c2sc(-c3cc4cnccc4[nH]3)cc2Cl)CS1(=O)=O.COc1nccc2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)s3)[nH]c12.[2H]c1cc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)cc1NC(=O)c1ccccn1
InChIInChI=1S/C19H20F4N4O2S.C17H18ClN5O3S2.C17H18FN5O3S.3C16H16ClN5O2S2/c1-18(11-30(28,29)27(2)17(24)26-18)14-10-13(8-9-15(14)20)25-16(19(21,22)23)12-6-4-3-5-7-12;1-17(8-28(24,25)23(2)16(19)22-17)14-10(18)7-12(27-14)11-6-9-4-5-20-15(26-3)13(9)21-11;1-17(10-27(25,26)23(2)16(19)22-17)12-9-11(6-7-13(12)18)21-15(24)14-5-3-4-8-20-14;1-16(8-26(23,24)22(2)15(18)21-16)14-10(17)6-13(25-14)12-5-9-7-19-4-3-11(9)20-12;1-16(8-26(23,24)22(2)15(18)21-16)14-10(17)6-13(25-14)11-5-9-3-4-19-7-12(9)20-11;1-16(8-26(23,24)22(2)15(18)21-16)13-10(17)7-12(25-13)11-6-9-4-3-5-19-14(9)20-11/h3-10,16,25H,11H2,1-2H3,(H2,24,26);4-7,21H,8H2,1-3H3,(H2,19,22);3-9H,10H2,1-2H3,(H2,19,22)(H,21,24);2*3-7,20H,8H2,1-2H3,(H2,18,21);3-7H,8H2,1-2H3,(H2,18,21)(H,19,20)/t16?,18-;2*17-;3*16-/m000000/s1/i;;6D;;;
InChIKeyIIZWVIGREDFPKY-RNKIZFPRSA-N
XLogP15.63
TPSA632.53 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms163
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002506.61
LogP ≤ 515.63
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 158713414) is N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2cc(NC(c3ccccc3)C(F)(F)F)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2sc(-c3cc4cccnc4[nH]3)cc2Cl)CS1(=O)=O.CN1C(N)=N[C@](C)(c2sc(-c3cc4ccncc4[nH]3)cc2Cl)CS1(=O)=O.CN1C(N)=N[C@](C)(c2sc(-c3cc4cnccc4[nH]3)cc2Cl)CS1(=O)=O.COc1nccc2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)s3)[nH]c12.[2H]c1cc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)cc1NC(=O)c1ccccn1.
What is the InChIKey of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is IIZWVIGREDFPKY-RNKIZFPRSA-N. The full InChI is InChI=1S/C19H20F4N4O2S.C17H18ClN5O3S2.C17H18FN5O3S.3C16H16ClN5O2S2/c1-18(11-30(28,29)27(2)17(24)26-18)14-10-13(8-9-15(14)20)25-16(19(21,22)23)12-6-4-3-5-7-12;1-17(8-28(24,25)23(2)16(19)22-17)14-10(18)7-12(27-14)11-6-9-4-5-20-15(26-3)13(9)21-11;1-17(10-27(25,26)23(2)16(19)22-17)12-9-11(6-7-13(12)18)21-15(24)14-5-3-4-8-20-14;1-16(8-26(23,24)22(2)15(18)21-16)14-10(17)6-13(25-14)12-5-9-7-19-4-3-11(9)20-12;1-16(8-26(23,24)22(2)15(18)21-16)14-10(17)6-13(25-14)11-5-9-3-4-19-7-12(9)20-11;1-16(8-26(23,24)22(2)15(18)21-16)13-10(17)7-12(25-13)11-6-9-4-3-5-19-14(9)20-11/h3-10,16,25H,11H2,1-2H3,(H2,24,26);4-7,21H,8H2,1-3H3,(H2,19,22);3-9H,10H2,1-2H3,(H2,19,22)(H,21,24);2*3-7,20H,8H2,1-2H3,(H2,18,21);3-7H,8H2,1-2H3,(H2,18,21)(H,19,20)/t16?,18-;2*17-;3*16-/m000000/s1/i;;6D;;;.
What are the key properties of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 2506.61 g/mol, XLogP of 15.63, 16 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 158713414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).