N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C25H31ClN6O4S2 — CID 147888827

IUPACN-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CCC(CNS(C)(=O)=O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C25H31ClN6O4S2/c1-32-8-7-19-22(13-32)37-25(31-19)24(34)29-18-5-3-14(12-27-38(2,35)36)9-20(18)30-23(33)21-11-15-10-16(26)4-6-17(15)28-21/h4,6,10-11,14,18,20,27-28H,3,5,7-9,12-13H2,1-2H3,(H,29,34)(H,30,33)/t14?,18-,20+/m1/s1
InChIKeyIBWFNYJEWQWJEC-UCPOHXDKSA-N
MW579.15 g/mol
LogP2.51
Rot. Bonds7

About N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 147888827) has the molecular formula C25H31ClN6O4S2 and a molecular weight of 579.15 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID147888827
Molecular FormulaC25H31ClN6O4S2
Molecular Weight579.15 g/mol
Exact Mass578.15
IUPAC NameN-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CCC(CNS(C)(=O)=O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C25H31ClN6O4S2/c1-32-8-7-19-22(13-32)37-25(31-19)24(34)29-18-5-3-14(12-27-38(2,35)36)9-20(18)30-23(33)21-11-15-10-16(26)4-6-17(15)28-21/h4,6,10-11,14,18,20,27-28H,3,5,7-9,12-13H2,1-2H3,(H,29,34)(H,30,33)/t14?,18-,20+/m1/s1
InChIKeyIBWFNYJEWQWJEC-UCPOHXDKSA-N
XLogP2.51
TPSA136.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.15
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[5-amino-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 68548371
N-[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-cyclopropylacetyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58208873
N-[(1S,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59284703
N-[(1S,2R,4R,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4,5-dihydroxycyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66786617
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822130
[4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]carbamic acid
CID 68589941
N-[5-acetamido-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 68545323
N-[(1R,2S,5S)-5-butanoyl-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58208868
N-[(1S,2R,5R)-5-carbamoyl-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 68907650
(1S,3S,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid;hydrochloride
CID 68909325
methyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 68909321
N-[(1R,2S,5S)-5-carbamoyl-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822171

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 147888827) is N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N[C@@H]3CCC(CNS(C)(=O)=O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.
What is the InChIKey of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is IBWFNYJEWQWJEC-UCPOHXDKSA-N. The full InChI is InChI=1S/C25H31ClN6O4S2/c1-32-8-7-19-22(13-32)37-25(31-19)24(34)29-18-5-3-14(12-27-38(2,35)36)9-20(18)30-23(33)21-11-15-10-16(26)4-6-17(15)28-21/h4,6,10-11,14,18,20,27-28H,3,5,7-9,12-13H2,1-2H3,(H,29,34)(H,30,33)/t14?,18-,20+/m1/s1.
What are the key properties of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 579.15 g/mol, XLogP of 2.51, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(methanesulfonamidomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 147888827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).