N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide

C19H24FN5O4S — CID 123752471

IUPACN-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(C3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)on1
InChIInChI=1S/C19H24FN5O4S/c1-11-8-15(29-24-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19/h6-9H,10H2,1-5H3,(H2,21,23)(H,22,26)
InChIKeyCCRXEAANBZZELD-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.00
Rot. Bonds3

About N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 123752471) has the molecular formula C19H24FN5O4S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID123752471
Molecular FormulaC19H24FN5O4S
Molecular Weight437.50 g/mol
Exact Mass437.15
IUPAC NameN-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(C3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)on1
InChIInChI=1S/C19H24FN5O4S/c1-11-8-15(29-24-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19/h6-9H,10H2,1-5H3,(H2,21,23)(H,22,26)
InChIKeyCCRXEAANBZZELD-UHFFFAOYSA-N
XLogP2.00
TPSA130.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 123894882
N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-5-methoxy-3-methylpyrazine-2-carboxamide
CID 123402525
N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 123805645
1-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluoroanilino]-2,2-difluoroethanol
CID 146531072
N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-7-isocyanoimidazo[1,2-a]pyridine-2-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1,2,5-thiadiazole-3-carboxamide
CID 162128078
N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 126595528
[4-(5-bromo-2-fluorophenyl)-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-6-yl]carbamic acid
CID 118173070
1-amino-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]cyclopropane-1-carboxamide
CID 89095160
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 89094950
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-4-chlorobenzamide
CID 77143136
N-(3-carbamothioyl-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 55057681
N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 162166805

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 123752471) is N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(C3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)on1.
What is the InChIKey of N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is CCRXEAANBZZELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O4S/c1-11-8-15(29-24-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19/h6-9H,10H2,1-5H3,(H2,21,23)(H,22,26).
What are the key properties of N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 123752471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).