5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide

C16H20N2OS — CID 122606723

IUPAC5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide
SMILESCN(C)C(=O)c1nc(-c2ccccc2)c(C(C)(C)C)s1
InChIInChI=1S/C16H20N2OS/c1-16(2,3)13-12(11-9-7-6-8-10-11)17-14(20-13)15(19)18(4)5/h6-10H,1-5H3
InChIKeyMJGYMYRPJQANTB-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.81
Rot. Bonds2

About 5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide

5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide (PubChem CID 122606723) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide
PubChem CID122606723
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide
SMILESCN(C)C(=O)c1nc(-c2ccccc2)c(C(C)(C)C)s1
InChIInChI=1S/C16H20N2OS/c1-16(2,3)13-12(11-9-7-6-8-10-11)17-14(20-13)15(19)18(4)5/h6-10H,1-5H3
InChIKeyMJGYMYRPJQANTB-UHFFFAOYSA-N
XLogP3.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 170588418
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028
5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
CID 67425132
4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide
CID 45076989
2-N,2-N,6-N,6-N-tetramethylpyridine-2,6-dicarboxamide
CID 10955130
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide
CID 20823378
2-(N-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-4-methylanilino)acetic acid
CID 170715918
4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
CID 95043007
2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide
CID 39071360
5-(1,1-difluoroethyl)-4-phenyl-1,3-thiazol-2-amine
CID 83853866
2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119358383

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide (CID 122606723) is 5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide is CN(C)C(=O)c1nc(-c2ccccc2)c(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide?
The InChIKey is MJGYMYRPJQANTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-16(2,3)13-12(11-9-7-6-8-10-11)17-14(20-13)15(19)18(4)5/h6-10H,1-5H3.
What are the key properties of 5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide?
5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 122606723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).