N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide

C18H17ClN2OS — CID 5185835

IUPACN-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
SMILESCCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN2OS/c1-4-21-15-8-7-14(19)10-16(15)23-18(21)20-17(22)13-6-5-11(2)12(3)9-13/h5-10H,4H2,1-3H3/b20-18-
InChIKeyXBUAZVSWXXTLMZ-ZZEZOPTASA-N
MW344.87 g/mol
LogP4.73
Rot. Bonds2

About N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide

N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide (PubChem CID 5185835) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
PubChem CID5185835
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC NameN-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
SMILESCCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN2OS/c1-4-21-15-8-7-14(19)10-16(15)23-18(21)20-17(22)13-6-5-11(2)12(3)9-13/h5-10H,4H2,1-3H3/b20-18-
InChIKeyXBUAZVSWXXTLMZ-ZZEZOPTASA-N
XLogP4.73
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 43984617
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide
CID 4186877
3-chloro-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047892
methyl 2-(4-chlorobenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 4131727
methyl 2-(2,5-dichlorobenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 4638675
ethyl 2-(3,5-dichlorobenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 4517177
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 3453349
N,N'-bis(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)decanediamide
CID 4289489
4-(benzenesulfonamido)-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043679
ethyl 2-[6-chloro-2-(4-methyl-3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43940395
4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983945
6-[(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)carbamoyl]pyridine-2-carbonyl chloride
CID 3339479

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The IUPAC name of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide (CID 5185835) is N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The canonical SMILES for N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide is CCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(Cl)ccc21.
What is the InChIKey of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The InChIKey is XBUAZVSWXXTLMZ-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-4-21-15-8-7-14(19)10-16(15)23-18(21)20-17(22)13-6-5-11(2)12(3)9-13/h5-10H,4H2,1-3H3/b20-18-.
What are the key properties of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide has a molecular weight of 344.87 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide is sourced from PubChem (CID 5185835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).