5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

C14H15N3O3S — CID 119128262

IUPAC5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCc1nc(C(C)NC(=O)c2ccc(C(=O)O)nc2)cs1
InChIInChI=1S/C14H15N3O3S/c1-3-12-17-11(7-21-12)8(2)16-13(18)9-4-5-10(14(19)20)15-6-9/h4-8H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNSGKERWJTHHUGN-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.29
Rot. Bonds5

About 5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119128262) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119128262
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCc1nc(C(C)NC(=O)c2ccc(C(=O)O)nc2)cs1
InChIInChI=1S/C14H15N3O3S/c1-3-12-17-11(7-21-12)8(2)16-13(18)9-4-5-10(14(19)20)15-6-9/h4-8H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNSGKERWJTHHUGN-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]-5-nitrobenzoic acid
CID 119185008
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 126794943
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride
CID 120646852
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119886452

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 119128262) is 5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is CCc1nc(C(C)NC(=O)c2ccc(C(=O)O)nc2)cs1.
What is the InChIKey of 5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is NSGKERWJTHHUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-12-17-11(7-21-12)8(2)16-13(18)9-4-5-10(14(19)20)15-6-9/h4-8H,3H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119128262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).