4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C18H15N3OS — CID 7202790

IUPAC4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(C)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1
InChIInChI=1S/C18H15N3OS/c1-11(2)14-7-8-15-16(9-14)23-18(20-15)21-17(22)13-5-3-12(10-19)4-6-13/h3-9,11H,1-2H3,(H,20,21,22)
InChIKeySPRWQXDOJGUBMP-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.54
Rot. Bonds3

About 4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7202790) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7202790
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(C)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1
InChIInChI=1S/C18H15N3OS/c1-11(2)14-7-8-15-16(9-14)23-18(20-15)21-17(22)13-5-3-12(10-19)4-6-13/h3-9,11H,1-2H3,(H,20,21,22)
InChIKeySPRWQXDOJGUBMP-UHFFFAOYSA-N
XLogP4.54
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419
methyl 2-[(4-propan-2-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128804
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide
CID 25259294
N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848
4-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 4984782
4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 27419877
3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235435
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 18560934
3-methylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7267158
4-[(4-fluorophenyl)sulfonylamino]-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 121044601
4-[(4-chlorophenyl)sulfonylamino]-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 121045055

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 7202790) is 4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is CC(C)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1.
What is the InChIKey of 4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is SPRWQXDOJGUBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-11(2)14-7-8-15-16(9-14)23-18(20-15)21-17(22)13-5-3-12(10-19)4-6-13/h3-9,11H,1-2H3,(H,20,21,22).
What are the key properties of 4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 321.41 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7202790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).