1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C24H21ClN4O2S2 — CID 55952143

IUPAC1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc34)CC2)n1
InChIInChI=1S/C24H21ClN4O2S2/c1-14-13-32-24(26-14)28-22(30)15-8-10-29(11-9-15)23(31)17-12-19(20-6-7-21(25)33-20)27-18-5-3-2-4-16(17)18/h2-7,12-13,15H,8-11H2,1H3,(H,26,28,30)
InChIKeyNCTHSDKZHLZNJL-UHFFFAOYSA-N
MW497.05 g/mol
LogP5.87
Rot. Bonds4

About 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55952143) has the molecular formula C24H21ClN4O2S2 and a molecular weight of 497.05 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55952143
Molecular FormulaC24H21ClN4O2S2
Molecular Weight497.05 g/mol
Exact Mass496.08
IUPAC Name1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc34)CC2)n1
InChIInChI=1S/C24H21ClN4O2S2/c1-14-13-32-24(26-14)28-22(30)15-8-10-29(11-9-15)23(31)17-12-19(20-6-7-21(25)33-20)27-18-5-3-2-4-16(17)18/h2-7,12-13,15H,8-11H2,1H3,(H,26,28,30)
InChIKeyNCTHSDKZHLZNJL-UHFFFAOYSA-N
XLogP5.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.05
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide
CID 47067553
1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952035
2-(5-chlorothiophen-2-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
CID 60513810
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55810075
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1022888
1-(2,4-diphenyl-1,3-thiazole-5-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951643
1-(1,3-diphenylpyrazole-4-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55950995
1-(2-methyl-5-methylsulfonylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951244
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952408

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55952143) is 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc34)CC2)n1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is NCTHSDKZHLZNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S2/c1-14-13-32-24(26-14)28-22(30)15-8-10-29(11-9-15)23(31)17-12-19(20-6-7-21(25)33-20)27-18-5-3-2-4-16(17)18/h2-7,12-13,15H,8-11H2,1H3,(H,26,28,30).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 497.05 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55952143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).