N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide

C16H20N2OS — CID 3372647

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)c(C)c1
InChIInChI=1S/C16H20N2OS/c1-10-6-7-12(11(2)8-10)14(19)18-15-17-13(9-20-15)16(3,4)5/h6-9H,1-5H3,(H,17,18,19)
InChIKeyBRPHBGQFXRXMAM-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.31
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide (PubChem CID 3372647) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
PubChem CID3372647
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)c(C)c1
InChIInChI=1S/C16H20N2OS/c1-10-6-7-12(11(2)8-10)14(19)18-15-17-13(9-20-15)16(3,4)5/h6-9H,1-5H3,(H,17,18,19)
InChIKeyBRPHBGQFXRXMAM-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555679
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 4619806
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide
CID 32995528
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62237194
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloro-5-methylsulfanylbenzamide
CID 26243504
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 62237022
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 17454491

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide (CID 3372647) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)c(C)c1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide?
The InChIKey is BRPHBGQFXRXMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-6-7-12(11(2)8-10)14(19)18-15-17-13(9-20-15)16(3,4)5/h6-9H,1-5H3,(H,17,18,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide has a molecular weight of 288.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide is sourced from PubChem (CID 3372647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).