3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide

C19H18N2OS — CID 97255775

IUPAC3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N2OS/c1-13(20-19(22)18-12-23-21-14(18)2)15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyGLPPBRYBBSFCGD-ZDUSSCGKSA-N
MW322.43 g/mol
LogP4.61
Rot. Bonds4

About 3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide

3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide (PubChem CID 97255775) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
PubChem CID97255775
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N2OS/c1-13(20-19(22)18-12-23-21-14(18)2)15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyGLPPBRYBBSFCGD-ZDUSSCGKSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 110028233
3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide
CID 122159118
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide
CID 39996366
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide
CID 27782394
2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide
CID 39952272
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide (CID 97255775) is 3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide?
The InChIKey is GLPPBRYBBSFCGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13(20-19(22)18-12-23-21-14(18)2)15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 97255775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).