1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid

C16H17ClN2O3S2 — CID 122118470

IUPAC1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C16H17ClN2O3S2/c1-8-5-10(16(21)22)7-19(6-8)15(20)13-9(2)18-14(24-13)11-3-4-12(17)23-11/h3-4,8,10H,5-7H2,1-2H3,(H,21,22)
InChIKeyYAKIAJDJYYNCBS-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.02
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118470) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122118470
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C16H17ClN2O3S2/c1-8-5-10(16(21)22)7-19(6-8)15(20)13-9(2)18-14(24-13)11-3-4-12(17)23-11/h3-4,8,10H,5-7H2,1-2H3,(H,21,22)
InChIKeyYAKIAJDJYYNCBS-UHFFFAOYSA-N
XLogP4.02
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122119428
[(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea
CID 97249017
(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125152105
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone
CID 119470707
1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103079
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119622366
2-(5-chlorothiophen-2-yl)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 167810583
(3S,4S)-4-methyl-1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952421
2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815737
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 49371148
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 39080567
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 27661495

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid (CID 122118470) is 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is YAKIAJDJYYNCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-8-5-10(16(21)22)7-19(6-8)15(20)13-9(2)18-14(24-13)11-3-4-12(17)23-11/h3-4,8,10H,5-7H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 384.91 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).