N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide

C21H22N2OS — CID 55710205

IUPACN,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C21H22N2OS/c1-16-19(25-20(22-16)18-13-7-4-8-14-18)21(24)23(2)15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14H,9,12,15H2,1-2H3
InChIKeyHJFRGKALFCXXBG-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.82
Rot. Bonds6

About N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 55710205) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID55710205
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C21H22N2OS/c1-16-19(25-20(22-16)18-13-7-4-8-14-18)21(24)23(2)15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14H,9,12,15H2,1-2H3
InChIKeyHJFRGKALFCXXBG-UHFFFAOYSA-N
XLogP4.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
CID 143281454
N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide
CID 112837365
2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 46440106
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119362912
4-methyl-N-[3-(N-methylanilino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 27746890
N-ethyl-4-methyl-N-(2-phenylethyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55587242
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86824226
N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 143445165
4-[methyl-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119137189
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide (CID 55710205) is N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)N(C)CCCc1ccccc1.
What is the InChIKey of N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HJFRGKALFCXXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-16-19(25-20(22-16)18-13-7-4-8-14-18)21(24)23(2)15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14H,9,12,15H2,1-2H3.
What are the key properties of N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55710205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).