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

C12H17N3O3S — CID 106740296

IUPAC3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)C2CCNC(C)C2)c1C(=O)O
InChIInChI=1S/C12H17N3O3S/c1-6-5-8(3-4-13-6)10(16)14-11-9(12(17)18)7(2)15-19-11/h6,8,13H,3-5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyNYDWCEJQUQWPBH-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.48
Rot. Bonds3

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

3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 106740296) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID106740296
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)C2CCNC(C)C2)c1C(=O)O
InChIInChI=1S/C12H17N3O3S/c1-6-5-8(3-4-13-6)10(16)14-11-9(12(17)18)7(2)15-19-11/h6,8,13H,3-5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyNYDWCEJQUQWPBH-UHFFFAOYSA-N
XLogP1.48
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid (CID 106740296) is 3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)C2CCNC(C)C2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is NYDWCEJQUQWPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-6-5-8(3-4-13-6)10(16)14-11-9(12(17)18)7(2)15-19-11/h6,8,13H,3-5H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 106740296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).