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

C14H14N2O3S — CID 106696786

IUPAC5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NCCc2ccccc2)nc1C(=O)O
InChIInChI=1S/C14H14N2O3S/c1-9(17)12-11(13(18)19)16-14(20-12)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyWOZAXUKGWZUVAP-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.70
Rot. Bonds6

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

5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696786) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID106696786
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NCCc2ccccc2)nc1C(=O)O
InChIInChI=1S/C14H14N2O3S/c1-9(17)12-11(13(18)19)16-14(20-12)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyWOZAXUKGWZUVAP-UHFFFAOYSA-N
XLogP2.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
5-acetyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 106697908
5-acetyl-2-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid
CID 106697562
5-acetyl-2-[(3-cyanophenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106697479
5-acetyl-2-(5,5,5-trifluoropentylamino)-1,3-thiazole-4-carboxylic acid
CID 106697954
5-acetyl-2-(3-cyclopropylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106698141
[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 71733211
2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 107856368
5-acetyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697057
5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696708
5-acetyl-2-[(5-chlorothiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106697783
5-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631295

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid (CID 106696786) is 5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(NCCc2ccccc2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is WOZAXUKGWZUVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9(17)12-11(13(18)19)16-14(20-12)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).