2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide

C12H12N2O2S — CID 5094101

IUPAC2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(C(O)Cc2ccccc2)n1
InChIInChI=1S/C12H12N2O2S/c13-11(16)9-7-17-12(14-9)10(15)6-8-4-2-1-3-5-8/h1-5,7,10,15H,6H2,(H2,13,16)
InChIKeySEVRULJBVPZZLQ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.52
Rot. Bonds4

About 2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide

2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 5094101) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID5094101
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(C(O)Cc2ccccc2)n1
InChIInChI=1S/C12H12N2O2S/c13-11(16)9-7-17-12(14-9)10(15)6-8-4-2-1-3-5-8/h1-5,7,10,15H,6H2,(H2,13,16)
InChIKeySEVRULJBVPZZLQ-UHFFFAOYSA-N
XLogP1.52
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 5094101) is 2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(C(O)Cc2ccccc2)n1.
What is the InChIKey of 2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SEVRULJBVPZZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-11(16)9-7-17-12(14-9)10(15)6-8-4-2-1-3-5-8/h1-5,7,10,15H,6H2,(H2,13,16).
What are the key properties of 2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5094101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).