N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide

C17H15ClN2OS — CID 40885080

IUPACN-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=c2\sc3c(Cl)ccc(C)c3n2C)cc1
InChIInChI=1S/C17H15ClN2OS/c1-10-4-7-12(8-5-10)16(21)19-17-20(3)14-11(2)6-9-13(18)15(14)22-17/h4-9H,1-3H3/b19-17-
InChIKeyAEXIGQIZQUWQBA-ZPHPHTNESA-N
MW330.84 g/mol
LogP4.25
Rot. Bonds1

About N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide

N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide (PubChem CID 40885080) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
PubChem CID40885080
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC NameN-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=c2\sc3c(Cl)ccc(C)c3n2C)cc1
InChIInChI=1S/C17H15ClN2OS/c1-10-4-7-12(8-5-10)16(21)19-17-20(3)14-11(2)6-9-13(18)15(14)22-17/h4-9H,1-3H3/b19-17-
InChIKeyAEXIGQIZQUWQBA-ZPHPHTNESA-N
XLogP4.25
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
CID 40885538
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364141
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide
CID 4107936
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxybenzamide
CID 40885452
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 40885230
4-[bis(prop-2-enyl)sulfamoyl]-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5079934
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4618719
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 3317686
ethyl 4-[4-[(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 3458641
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241
N-(7-chloro-4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 7590249
2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885528

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide?
The IUPAC name of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide (CID 40885080) is N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide.
What is the SMILES notation for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide?
The canonical SMILES for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide is Cc1ccc(C(=O)/N=c2\sc3c(Cl)ccc(C)c3n2C)cc1.
What is the InChIKey of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide?
The InChIKey is AEXIGQIZQUWQBA-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-10-4-7-12(8-5-10)16(21)19-17-20(3)14-11(2)6-9-13(18)15(14)22-17/h4-9H,1-3H3/b19-17-.
What are the key properties of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide?
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide has a molecular weight of 330.84 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide is sourced from PubChem (CID 40885080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).