N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide

C17H14N2OS — CID 62044821

IUPACN-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H14N2OS/c20-17(16-12-21-13-18-16)19(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10,12-13H,11H2
InChIKeyATSIQFJYASULMA-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.99
Rot. Bonds4

About N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide

N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 62044821) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID62044821
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H14N2OS/c20-17(16-12-21-13-18-16)19(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10,12-13H,11H2
InChIKeyATSIQFJYASULMA-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159
3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 138044082
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716
N-benzyl-N-phenylquinoline-2-carboxamide
CID 2449862
N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 63049772
N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide
CID 137147342
N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide
CID 42789521
3-[4-methyl-N-(1,3-thiazole-4-carbonyl)anilino]propanoic acid
CID 63021821
N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 42161824
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55144453
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide (CID 62044821) is N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide is O=C(c1cscn1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is ATSIQFJYASULMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(16-12-21-13-18-16)19(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10,12-13H,11H2.
What are the key properties of N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide?
N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62044821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).