5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid

C14H14N2O3S — CID 106696708

IUPAC5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NC(C)c2ccccc2)nc1C(=O)O
InChIInChI=1S/C14H14N2O3S/c1-8(10-6-4-3-5-7-10)15-14-16-11(13(18)19)12(20-14)9(2)17/h3-8H,1-2H3,(H,15,16)(H,18,19)
InChIKeyLZUNXGNACNLRHP-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.22
Rot. Bonds5

About 5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696708) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID106696708
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NC(C)c2ccccc2)nc1C(=O)O
InChIInChI=1S/C14H14N2O3S/c1-8(10-6-4-3-5-7-10)15-14-16-11(13(18)19)12(20-14)9(2)17/h3-8H,1-2H3,(H,15,16)(H,18,19)
InChIKeyLZUNXGNACNLRHP-UHFFFAOYSA-N
XLogP3.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 106697309
5-acetyl-2-(3-methylpentan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697199
5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696786
5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 115423528
methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate
CID 106697008
5-acetyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697057
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931
5-methyl-2-(1-phenylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 113307049
5-acetyl-2-(2-bromo-6-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 107604321
5-acetyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697269
5-acetyl-2-(3,5-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 107580557

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid (CID 106696708) is 5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(NC(C)c2ccccc2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is LZUNXGNACNLRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8(10-6-4-3-5-7-10)15-14-16-11(13(18)19)12(20-14)9(2)17/h3-8H,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).