2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate

C19H17NO3S — CID 15691768

IUPAC2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate
SMILESCc1sc(-c2ccc(C(=O)OCCc3ccccc3)cc2)nc1O
InChIInChI=1S/C19H17NO3S/c1-13-17(21)20-18(24-13)15-7-9-16(10-8-15)19(22)23-12-11-14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3
InChIKeyFIINYJNFYMRPIP-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.22
Rot. Bonds5

About 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate

2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate (PubChem CID 15691768) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate.

Molecular Properties

Compound Name2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate
PubChem CID15691768
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate
SMILESCc1sc(-c2ccc(C(=O)OCCc3ccccc3)cc2)nc1O
InChIInChI=1S/C19H17NO3S/c1-13-17(21)20-18(24-13)15-7-9-16(10-8-15)19(22)23-12-11-14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3
InChIKeyFIINYJNFYMRPIP-UHFFFAOYSA-N
XLogP4.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The IUPAC name of 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate (CID 15691768) is 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate.
What is the SMILES notation for 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The canonical SMILES for 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate is Cc1sc(-c2ccc(C(=O)OCCc3ccccc3)cc2)nc1O.
What is the InChIKey of 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The InChIKey is FIINYJNFYMRPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-13-17(21)20-18(24-13)15-7-9-16(10-8-15)19(22)23-12-11-14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3.
What are the key properties of 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate has a molecular weight of 339.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate is sourced from PubChem (CID 15691768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).