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

C27H31ClN6O4S — CID 44520925

IUPACN-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)c3cc4ccc(Cl)cc4[nH]c3=O)sc2C1
InChIInChI=1S/C27H31ClN6O4S/c1-33(2)27(38)15-5-7-18(29-23(35)17-10-14-4-6-16(28)12-20(14)30-24(17)36)21(11-15)31-25(37)26-32-19-8-9-34(3)13-22(19)39-26/h4,6,10,12,15,18,21H,5,7-9,11,13H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)/t15-,18-,21+/m0/s1
InChIKeyRQALTJZKSUBDKY-UQASEVPWSA-N
MW571.10 g/mol
LogP2.41
Rot. Bonds5

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

N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 44520925) has the molecular formula C27H31ClN6O4S and a molecular weight of 571.10 g/mol. Its IUPAC name is N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID44520925
Molecular FormulaC27H31ClN6O4S
Molecular Weight571.10 g/mol
Exact Mass570.18
IUPAC NameN-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)c3cc4ccc(Cl)cc4[nH]c3=O)sc2C1
InChIInChI=1S/C27H31ClN6O4S/c1-33(2)27(38)15-5-7-18(29-23(35)17-10-14-4-6-16(28)12-20(14)30-24(17)36)21(11-15)31-25(37)26-32-19-8-9-34(3)13-22(19)39-26/h4,6,10,12,15,18,21H,5,7-9,11,13H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)/t15-,18-,21+/m0/s1
InChIKeyRQALTJZKSUBDKY-UQASEVPWSA-N
XLogP2.41
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.10
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-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 N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 44520925) is N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)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,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)c3cc4ccc(Cl)cc4[nH]c3=O)sc2C1.
What is the InChIKey of N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is RQALTJZKSUBDKY-UQASEVPWSA-N. The full InChI is InChI=1S/C27H31ClN6O4S/c1-33(2)27(38)15-5-7-18(29-23(35)17-10-14-4-6-16(28)12-20(14)30-24(17)36)21(11-15)31-25(37)26-32-19-8-9-34(3)13-22(19)39-26/h4,6,10,12,15,18,21H,5,7-9,11,13H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)/t15-,18-,21+/m0/s1.
What are the key properties of N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 571.10 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,5S)-2-[(7-chloro-2-oxo-1H-quinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 44520925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).