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

C24H31N5O2S — CID 71104846

IUPAC5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCC1=Cc2cc(C(=O)NC3CCCC[C@H]3NC(=O)c3nc4c(s3)CN(C)CC4)[nH]c2CC1
InChIInChI=1S/C24H31N5O2S/c1-14-7-8-16-15(11-14)12-20(25-16)22(30)26-17-5-3-4-6-18(17)27-23(31)24-28-19-9-10-29(2)13-21(19)32-24/h11-12,17-18,25H,3-10,13H2,1-2H3,(H,26,30)(H,27,31)/t17?,18-/m1/s1
InChIKeyDECMUFJRTJFATB-QRWMCTBCSA-N
MW453.61 g/mol
LogP3.28
Rot. Bonds4

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

5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 71104846) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID71104846
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC Name5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCC1=Cc2cc(C(=O)NC3CCCC[C@H]3NC(=O)c3nc4c(s3)CN(C)CC4)[nH]c2CC1
InChIInChI=1S/C24H31N5O2S/c1-14-7-8-16-15(11-14)12-20(25-16)22(30)26-17-5-3-4-6-18(17)27-23(31)24-28-19-9-10-29(2)13-21(19)32-24/h11-12,17-18,25H,3-10,13H2,1-2H3,(H,26,30)(H,27,31)/t17?,18-/m1/s1
InChIKeyDECMUFJRTJFATB-QRWMCTBCSA-N
XLogP3.28
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 97352650
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68907725
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
5-methyl-N-[(1R,2S)-2-[(5-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66792380
N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 58822246
5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 142197876
[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-[(1R,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;ethyl 1-(methylamino)cyclopropane-1-carboxylate
CID 158154007
N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59677026
N'-(4-chlorophenyl)-N-[(1R,2R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cycloheptyl]oxamide
CID 67056458
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 71104846) is 5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CC1=Cc2cc(C(=O)NC3CCCC[C@H]3NC(=O)c3nc4c(s3)CN(C)CC4)[nH]c2CC1.
What is the InChIKey of 5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is DECMUFJRTJFATB-QRWMCTBCSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-14-7-8-16-15(11-14)12-20(25-16)22(30)26-17-5-3-4-6-18(17)27-23(31)24-28-19-9-10-29(2)13-21(19)32-24/h11-12,17-18,25H,3-10,13H2,1-2H3,(H,26,30)(H,27,31)/t17?,18-/m1/s1.
What are the key properties of 5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 71104846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).