5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid

C14H15N3O3S — CID 146137005

IUPAC5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1cnc(C(C)(C)NC(=O)c2cncc(C(=O)O)c2)s1
InChIInChI=1S/C14H15N3O3S/c1-8-5-16-13(21-8)14(2,3)17-11(18)9-4-10(12(19)20)7-15-6-9/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyAYNBVJBEKNSQDA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.21
Rot. Bonds4

About 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid

5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 146137005) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID146137005
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1cnc(C(C)(C)NC(=O)c2cncc(C(=O)O)c2)s1
InChIInChI=1S/C14H15N3O3S/c1-8-5-16-13(21-8)14(2,3)17-11(18)9-4-10(12(19)20)7-15-6-9/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyAYNBVJBEKNSQDA-UHFFFAOYSA-N
XLogP2.21
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-nitrobenzamide
CID 122148296
3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 122018657
2-hydroxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-phenylacetamide
CID 111860346
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
(2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 120645775
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 166301885
2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride
CID 119870218
methyl 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetate
CID 75504790
3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide
CID 119870225
2-cyclopropyl-2-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 136547852
1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 75377192

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid (CID 146137005) is 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid is Cc1cnc(C(C)(C)NC(=O)c2cncc(C(=O)O)c2)s1.
What is the InChIKey of 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is AYNBVJBEKNSQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-5-16-13(21-8)14(2,3)17-11(18)9-4-10(12(19)20)7-15-6-9/h4-7H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid?
5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146137005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).