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

C20H20N2OS — CID 56522837

IUPACN-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C20H20N2OS/c1-14-18(24-15(2)21-14)19(23)22-20(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,1-3H3,(H,22,23)
InChIKeyUWWFEBCHBDDZRW-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.45
Rot. Bonds4

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

N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 56522837) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID56522837
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C20H20N2OS/c1-14-18(24-15(2)21-14)19(23)22-20(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,1-3H3,(H,22,23)
InChIKeyUWWFEBCHBDDZRW-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 39615200
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 64555981
N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 47097645
N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43394006
N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 16644290
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265800
N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110002203
N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 56522692
2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 63724956
2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16644283
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 56522837) is N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC(C)(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is UWWFEBCHBDDZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14-18(24-15(2)21-14)19(23)22-20(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,1-3H3,(H,22,23).
What are the key properties of N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56522837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).