N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide

C17H15ClN2OS — CID 110439547

IUPACN-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1nc2ccccc2s1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2OS/c1-17(2,11-6-5-7-12(18)10-11)15(21)20-16-19-13-8-3-4-9-14(13)22-16/h3-10H,1-2H3,(H,19,20,21)
InChIKeyKQHXTLXUBJDEQW-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.87
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide

N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide (PubChem CID 110439547) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
PubChem CID110439547
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1nc2ccccc2s1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2OS/c1-17(2,11-6-5-7-12(18)10-11)15(21)20-16-19-13-8-3-4-9-14(13)22-16/h3-10H,1-2H3,(H,19,20,21)
InChIKeyKQHXTLXUBJDEQW-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
CID 834850
3-(1,3-benzothiazol-2-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82813676
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide
CID 126828995
1-(1,3-benzothiazol-2-yl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 41435752
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110438653
N-(1,3-benzothiazol-2-yl)-2-ethylsulfanyl-2-methyl-3-oxopentanamide
CID 54105241
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 59232931

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide (CID 110439547) is N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1nc2ccccc2s1)c1cccc(Cl)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide?
The InChIKey is KQHXTLXUBJDEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-17(2,11-6-5-7-12(18)10-11)15(21)20-16-19-13-8-3-4-9-14(13)22-16/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide?
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide has a molecular weight of 330.84 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 110439547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).