4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid

C17H19N3O3S — CID 91131674

IUPAC4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESCc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)O)CC2)s1
InChIInChI=1S/C17H19N3O3S/c1-11-4-2-3-5-13(11)15(21)14-10-18-16(24-14)19-12-6-8-20(9-7-12)17(22)23/h2-5,10,12H,6-9H2,1H3,(H,18,19)(H,22,23)
InChIKeyZWKOVSSRWZMCLK-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.24
Rot. Bonds4

About 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid

4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 91131674) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID91131674
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESCc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)O)CC2)s1
InChIInChI=1S/C17H19N3O3S/c1-11-4-2-3-5-13(11)15(21)14-10-18-16(24-14)19-12-6-8-20(9-7-12)17(22)23/h2-5,10,12H,6-9H2,1H3,(H,18,19)(H,22,23)
InChIKeyZWKOVSSRWZMCLK-UHFFFAOYSA-N
XLogP3.24
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80572046
N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide
CID 11223972
1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea
CID 23442545
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride
CID 142276499
(2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone
CID 11167116
1-[4-[[5-[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidine-1-carbonyl]-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone
CID 162745095
3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl cyclohexanecarboxylate
CID 174464186
3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide
CID 87855514
2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 117087880
(2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone
CID 11295647
2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide
CID 130637977

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid (CID 91131674) is 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid is Cc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)O)CC2)s1.
What is the InChIKey of 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is ZWKOVSSRWZMCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-4-2-3-5-13(11)15(21)14-10-18-16(24-14)19-12-6-8-20(9-7-12)17(22)23/h2-5,10,12H,6-9H2,1H3,(H,18,19)(H,22,23).
What are the key properties of 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid?
4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 91131674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).