2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C13H14N2OS — CID 47443232

IUPAC2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2ccccc2)cs1
InChIInChI=1S/C13H14N2OS/c1-10-15-12(9-17-10)13(16)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyANHDEFXUCGKMMU-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.42
Rot. Bonds4

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

2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 47443232) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID47443232
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2ccccc2)cs1
InChIInChI=1S/C13H14N2OS/c1-10-15-12(9-17-10)13(16)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyANHDEFXUCGKMMU-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 47443232) is 2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCc2ccccc2)cs1.
What is the InChIKey of 2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ANHDEFXUCGKMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-15-12(9-17-10)13(16)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of 2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47443232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).