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

C24H31N5O2S — CID 66792380

IUPAC5-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
SMILESCc1ccc2c(c1)CC(C(=O)N[C@H]1CCCC[C@H]1NC(=O)c1nc3c(s1)CN(C)CC3)N2
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/h7-8,11,17-18,20,25H,3-6,9-10,12-13H2,1-2H3,(H,26,30)(H,27,31)/t17-,18+,20?/m0/s1
InChIKeyKMSCOOSQWZOLGG-IVAAQHKWSA-N
MW453.61 g/mol
LogP2.63
Rot. Bonds4

About 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

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 (PubChem CID 66792380) 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-2,3-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-2,3-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID66792380
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC Name5-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
SMILESCc1ccc2c(c1)CC(C(=O)N[C@H]1CCCC[C@H]1NC(=O)c1nc3c(s1)CN(C)CC3)N2
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/h7-8,11,17-18,20,25H,3-6,9-10,12-13H2,1-2H3,(H,26,30)(H,27,31)/t17-,18+,20?/m0/s1
InChIKeyKMSCOOSQWZOLGG-IVAAQHKWSA-N
XLogP2.63
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)CC(C(=O)N[C@H]1CCCC[C@H]1NC(=O)c1nc3c(s1)CN(C)CC3)N2.
What is the InChIKey of 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?
The InChIKey is KMSCOOSQWZOLGG-IVAAQHKWSA-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/h7-8,11,17-18,20,25H,3-6,9-10,12-13H2,1-2H3,(H,26,30)(H,27,31)/t17-,18+,20?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 453.61 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66792380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).