N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide

C15H15N3OS — CID 110406254

IUPACN-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(-c2cccc(C(=O)NC(C)(C)C#N)c2)n1
InChIInChI=1S/C15H15N3OS/c1-10-8-20-14(17-10)12-6-4-5-11(7-12)13(19)18-15(2,3)9-16/h4-8H,1-3H3,(H,18,19)
InChIKeyVJVCTMHPVSGCDI-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.15
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide

N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 110406254) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID110406254
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(-c2cccc(C(=O)NC(C)(C)C#N)c2)n1
InChIInChI=1S/C15H15N3OS/c1-10-8-20-14(17-10)12-6-4-5-11(7-12)13(19)18-15(2,3)9-16/h4-8H,1-3H3,(H,18,19)
InChIKeyVJVCTMHPVSGCDI-UHFFFAOYSA-N
XLogP3.15
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 110406254) is N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(-c2cccc(C(=O)NC(C)(C)C#N)c2)n1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VJVCTMHPVSGCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-8-20-14(17-10)12-6-4-5-11(7-12)13(19)18-15(2,3)9-16/h4-8H,1-3H3,(H,18,19).
What are the key properties of N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 285.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 110406254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).