N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide

C17H20N2O2S — CID 733782

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1C
InChIInChI=1S/C17H20N2O2S/c1-10-14(11(2)20)22-16(18-10)19-15(21)12-6-8-13(9-7-12)17(3,4)5/h6-9H,1-5H3,(H,18,19,21)
InChIKeyKEZFFKVTGGRQMP-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.20
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide (PubChem CID 733782) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide
PubChem CID733782
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1C
InChIInChI=1S/C17H20N2O2S/c1-10-14(11(2)20)22-16(18-10)19-15(21)12-6-8-13(9-7-12)17(3,4)5/h6-9H,1-5H3,(H,18,19,21)
InChIKeyKEZFFKVTGGRQMP-UHFFFAOYSA-N
XLogP4.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide (CID 733782) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide is CC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide?
The InChIKey is KEZFFKVTGGRQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-10-14(11(2)20)22-16(18-10)19-15(21)12-6-8-13(9-7-12)17(3,4)5/h6-9H,1-5H3,(H,18,19,21).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide has a molecular weight of 316.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide is sourced from PubChem (CID 733782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).