2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate

C12H12N2O2S — CID 170550057

IUPAC2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate
SMILESNc1ncc(C(=O)OCCc2ccccc2)s1
InChIInChI=1S/C12H12N2O2S/c13-12-14-8-10(17-12)11(15)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,14)
InChIKeyCKFQVXWVNFGQCD-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.12
Rot. Bonds4

About 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate

2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate (PubChem CID 170550057) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate
PubChem CID170550057
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate
SMILESNc1ncc(C(=O)OCCc2ccccc2)s1
InChIInChI=1S/C12H12N2O2S/c13-12-14-8-10(17-12)11(15)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,14)
InChIKeyCKFQVXWVNFGQCD-UHFFFAOYSA-N
XLogP2.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone
CID 159085381
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
2-phenylethyl 4-hydroxybenzoate
CID 11977778
methyl 2-(2-phenylethyl)-1,3-thiazole-5-carboxylate
CID 80572742
bis(2-phenylethyl) pyridine-2,4-dicarboxylate
CID 69102039
2-phenylethyl 6,7-dihydroxyisoquinoline-3-carboxylate
CID 135493881
(2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane
CID 91203286
3-phenylpropyl 5-(hydroxycarbamoyl)thiophene-2-carboxylate
CID 174479206
2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 86648025
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
2-phenylethyl 4-(methylsulfonylmethyl)benzoate
CID 78776770
5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine
CID 79774216

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate (CID 170550057) is 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate is Nc1ncc(C(=O)OCCc2ccccc2)s1.
What is the InChIKey of 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate?
The InChIKey is CKFQVXWVNFGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-12-14-8-10(17-12)11(15)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,14).
What are the key properties of 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate?
2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 170550057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).