2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid

C14H15N3O3S — CID 175445170

IUPAC2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid
SMILESCCC(C(=O)O)c1sc(NC(=O)c2ccncc2)nc1C
InChIInChI=1S/C14H15N3O3S/c1-3-10(13(19)20)11-8(2)16-14(21-11)17-12(18)9-4-6-15-7-5-9/h4-7,10H,3H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyCARCHISTBJHCST-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.68
Rot. Bonds5

About 2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid

2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid (PubChem CID 175445170) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid
PubChem CID175445170
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid
SMILESCCC(C(=O)O)c1sc(NC(=O)c2ccncc2)nc1C
InChIInChI=1S/C14H15N3O3S/c1-3-10(13(19)20)11-8(2)16-14(21-11)17-12(18)9-4-6-15-7-5-9/h4-7,10H,3H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyCARCHISTBJHCST-UHFFFAOYSA-N
XLogP2.68
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 82342465
2-methylpropyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110444825
4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid
CID 82226417
ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate
CID 82342569
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
N-(4-chlorophenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
CID 1468155
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82058794
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 52898188
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid?
The IUPAC name of 2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid (CID 175445170) is 2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid.
What is the SMILES notation for 2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid?
The canonical SMILES for 2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid is CCC(C(=O)O)c1sc(NC(=O)c2ccncc2)nc1C.
What is the InChIKey of 2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid?
The InChIKey is CARCHISTBJHCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-10(13(19)20)11-8(2)16-14(21-11)17-12(18)9-4-6-15-7-5-9/h4-7,10H,3H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid?
2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid is sourced from PubChem (CID 175445170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).