2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid

C14H15N3O3S — CID 82226596

IUPAC2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)C(=O)Nc1nc(-c2ccncc2)c(C(=O)O)s1
InChIInChI=1S/C14H15N3O3S/c1-14(2,3)12(20)17-13-16-9(10(21-13)11(18)19)8-4-6-15-7-5-8/h4-7H,1-3H3,(H,18,19)(H,16,17,20)
InChIKeyFPXMETLNAKYGFX-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.89
Rot. Bonds3

About 2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid

2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226596) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82226596
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)C(=O)Nc1nc(-c2ccncc2)c(C(=O)O)s1
InChIInChI=1S/C14H15N3O3S/c1-14(2,3)12(20)17-13-16-9(10(21-13)11(18)19)8-4-6-15-7-5-8/h4-7H,1-3H3,(H,18,19)(H,16,17,20)
InChIKeyFPXMETLNAKYGFX-UHFFFAOYSA-N
XLogP2.89
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226599
2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226600
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 695206
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 82342240
2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 159721242
N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 82342260
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 58242807
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
2-(butanoylamino)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 94970416
2-[4-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163891
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 11537451

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid (CID 82226596) is 2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid is CC(C)(C)C(=O)Nc1nc(-c2ccncc2)c(C(=O)O)s1.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FPXMETLNAKYGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-14(2,3)12(20)17-13-16-9(10(21-13)11(18)19)8-4-6-15-7-5-8/h4-7H,1-3H3,(H,18,19)(H,16,17,20).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).