N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide

C18H16N2OS — CID 91094529

IUPACN-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)c1nccs1
InChIInChI=1S/C18H16N2OS/c21-17(18-19-11-12-22-18)20-13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,16H,13H2,(H,20,21)
InChIKeyHBUDQMBAGDDXJT-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.70
Rot. Bonds5

About N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide

N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide (PubChem CID 91094529) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
PubChem CID91094529
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)c1nccs1
InChIInChI=1S/C18H16N2OS/c21-17(18-19-11-12-22-18)20-13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,16H,13H2,(H,20,21)
InChIKeyHBUDQMBAGDDXJT-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
CID 110467972
N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide
CID 110467968
2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid
CID 67154487
N-(2-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 110467924
CID 69459233
CID 69459233
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
CID 122190961
N-[2-(2-fluorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide
CID 110468020
N-pentyl-1,3-thiazole-2-carboxamide
CID 110695980
4-N-(2,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 30870123
N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
CID 110467928
N-(2-phenyl-2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110362884

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide (CID 91094529) is N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)c1nccs1.
What is the InChIKey of N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is HBUDQMBAGDDXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-17(18-19-11-12-22-18)20-13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,16H,13H2,(H,20,21).
What are the key properties of N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide?
N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 91094529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).