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

C27H31ClN6O3S — CID 66786884

IUPACN-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3(N)C(=O)c3ccc4cc(Cl)ccc4n3)sc2C1
InChIInChI=1S/C27H31ClN6O3S/c1-33(2)26(37)16-8-10-27(29,23(35)20-6-4-15-12-17(28)5-7-18(15)30-20)22(13-16)32-24(36)25-31-19-9-11-34(3)14-21(19)38-25/h4-7,12,16,22H,8-11,13-14,29H2,1-3H3,(H,32,36)
InChIKeyGMLJSJOFUBBFDW-UHFFFAOYSA-N
MW555.10 g/mol
LogP2.90
Rot. Bonds5

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

N-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 66786884) has the molecular formula C27H31ClN6O3S and a molecular weight of 555.10 g/mol. Its IUPAC name is N-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID66786884
Molecular FormulaC27H31ClN6O3S
Molecular Weight555.10 g/mol
Exact Mass554.19
IUPAC NameN-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3(N)C(=O)c3ccc4cc(Cl)ccc4n3)sc2C1
InChIInChI=1S/C27H31ClN6O3S/c1-33(2)26(37)16-8-10-27(29,23(35)20-6-4-15-12-17(28)5-7-18(15)30-20)22(13-16)32-24(36)25-31-19-9-11-34(3)14-21(19)38-25/h4-7,12,16,22H,8-11,13-14,29H2,1-3H3,(H,32,36)
InChIKeyGMLJSJOFUBBFDW-UHFFFAOYSA-N
XLogP2.90
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.10
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-amino-2-(6-chloroquinoline-2-carbonyl)-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-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 66786884) is N-[2-amino-2-(6-chloroquinoline-2-carbonyl)-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-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3(N)C(=O)c3ccc4cc(Cl)ccc4n3)sc2C1.
What is the InChIKey of N-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is GMLJSJOFUBBFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN6O3S/c1-33(2)26(37)16-8-10-27(29,23(35)20-6-4-15-12-17(28)5-7-18(15)30-20)22(13-16)32-24(36)25-31-19-9-11-34(3)14-21(19)38-25/h4-7,12,16,22H,8-11,13-14,29H2,1-3H3,(H,32,36).
What are the key properties of N-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 555.10 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(6-chloroquinoline-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 66786884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).