2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C16H19N3O2S — CID 102422570

IUPAC2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)N[C@H](C)c1nc(C(=O)NCCc2ccccc2)cs1
InChIInChI=1S/C16H19N3O2S/c1-11(18-12(2)20)16-19-14(10-22-16)15(21)17-9-8-13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,17,21)(H,18,20)/t11-/m1/s1
InChIKeyMEBSKLSELLTMAT-LLVKDONJSA-N
MW317.41 g/mol
LogP2.31
Rot. Bonds6

About 2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 102422570) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID102422570
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)N[C@H](C)c1nc(C(=O)NCCc2ccccc2)cs1
InChIInChI=1S/C16H19N3O2S/c1-11(18-12(2)20)16-19-14(10-22-16)15(21)17-9-8-13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,17,21)(H,18,20)/t11-/m1/s1
InChIKeyMEBSKLSELLTMAT-LLVKDONJSA-N
XLogP2.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide 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-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 102422570) is 2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is CC(=O)N[C@H](C)c1nc(C(=O)NCCc2ccccc2)cs1.
What is the InChIKey of 2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MEBSKLSELLTMAT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11(18-12(2)20)16-19-14(10-22-16)15(21)17-9-8-13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,17,21)(H,18,20)/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-acetamidoethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102422570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).