3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid

C14H21N3O3S — CID 79398061

IUPAC3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)CCC2CCCCN2)c1C(=O)O
InChIInChI=1S/C14H21N3O3S/c1-9-12(14(19)20)13(21-16-9)17(2)11(18)7-6-10-5-3-4-8-15-10/h10,15H,3-8H2,1-2H3,(H,19,20)
InChIKeyWQHKIVHLYOJDMT-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.03
Rot. Bonds5

About 3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 79398061) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID79398061
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)CCC2CCCCN2)c1C(=O)O
InChIInChI=1S/C14H21N3O3S/c1-9-12(14(19)20)13(21-16-9)17(2)11(18)7-6-10-5-3-4-8-15-10/h10,15H,3-8H2,1-2H3,(H,19,20)
InChIKeyWQHKIVHLYOJDMT-UHFFFAOYSA-N
XLogP2.03
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-phenyl-3-piperidin-2-ylpropanamide
CID 62211013
N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 62210857
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide
CID 64518835
2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid
CID 62211166
N-butyl-N-methyl-3-piperidin-2-ylpropanamide
CID 62210320
3-(azepan-2-yl)propanoic acid
CID 69475849
N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide
CID 62211493
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-piperidin-2-ylpropanamide
CID 62211103
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-2-ylpropanamide
CID 79314839
3-cyclohexyl-N-methyl-N-(2-piperidin-2-ylethyl)propanamide
CID 43187165
N-benzyl-3-piperidin-2-yl-N-propan-2-ylpropanamide
CID 62212408
N-ethyl-N-(2-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62210137

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid (CID 79398061) is 3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)C(=O)CCC2CCCCN2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is WQHKIVHLYOJDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-12(14(19)20)13(21-16-9)17(2)11(18)7-6-10-5-3-4-8-15-10/h10,15H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl(3-piperidin-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79398061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).