N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide

C21H22N2OS — CID 55756219

IUPACN-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C21H22N2OS/c1-3-16(2)23(15-17-10-6-4-7-11-17)21(24)19-14-22-20(25-19)18-12-8-5-9-13-18/h4-14,16H,3,15H2,1-2H3
InChIKeyNPFHZFUUBCLSRH-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.25
Rot. Bonds6

About N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide

N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55756219) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55756219
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C21H22N2OS/c1-3-16(2)23(15-17-10-6-4-7-11-17)21(24)19-14-22-20(25-19)18-12-8-5-9-13-18/h4-14,16H,3,15H2,1-2H3
InChIKeyNPFHZFUUBCLSRH-UHFFFAOYSA-N
XLogP5.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-butan-2-yl-5-chloro-1,3,4-thiadiazole-2-carboxamide
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N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide
CID 103817289
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 111596080
N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 46471508
3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide
CID 61116582
N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 46997041
N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide
CID 63998851
4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119172820
N-benzyl-N-butan-2-yl-2,6-dimethylpyridine-3-carboxamide
CID 55875368
N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
CID 86991083

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide (CID 55756219) is N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is NPFHZFUUBCLSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-3-16(2)23(15-17-10-6-4-7-11-17)21(24)19-14-22-20(25-19)18-12-8-5-9-13-18/h4-14,16H,3,15H2,1-2H3.
What are the key properties of N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide?
N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55756219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).