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

C18H17ClN2OS — CID 40885538

IUPACN-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)/N=c2\sc3c(Cl)ccc(C)c3n2C)c(C)c1
InChIInChI=1S/C18H17ClN2OS/c1-10-5-7-13(12(3)9-10)17(22)20-18-21(4)15-11(2)6-8-14(19)16(15)23-18/h5-9H,1-4H3/b20-18-
InChIKeyFCMTUVDWMKSRDN-ZZEZOPTASA-N
MW344.87 g/mol
LogP4.56
Rot. Bonds1

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

N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide (PubChem CID 40885538) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
PubChem CID40885538
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC NameN-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)/N=c2\sc3c(Cl)ccc(C)c3n2C)c(C)c1
InChIInChI=1S/C18H17ClN2OS/c1-10-5-7-13(12(3)9-10)17(22)20-18-21(4)15-11(2)6-8-14(19)16(15)23-18/h5-9H,1-4H3/b20-18-
InChIKeyFCMTUVDWMKSRDN-ZZEZOPTASA-N
XLogP4.56
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.56
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)-4-methylbenzamide
CID 40885080
2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885528
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
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)-3,4,5-triethoxybenzamide
CID 40885452
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 40885230
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885526
2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4111919
2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41019313
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

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide?
The IUPAC name of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide (CID 40885538) is N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide?
The canonical SMILES for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide is Cc1ccc(C(=O)/N=c2\sc3c(Cl)ccc(C)c3n2C)c(C)c1.
What is the InChIKey of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide?
The InChIKey is FCMTUVDWMKSRDN-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-10-5-7-13(12(3)9-10)17(22)20-18-21(4)15-11(2)6-8-14(19)16(15)23-18/h5-9H,1-4H3/b20-18-.
What are the key properties of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide?
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide has a molecular weight of 344.87 g/mol, XLogP of 4.56, 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)-2,4-dimethylbenzamide is sourced from PubChem (CID 40885538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).