N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide

C18H17ClN2O3S — CID 2105025

IUPACN-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
SMILESCCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2O3S/c1-4-21-16-14(19)6-5-7-15(16)25-18(21)20-17(22)11-8-12(23-2)10-13(9-11)24-3/h5-10H,4H2,1-3H3/b20-18-
InChIKeyYMDDDRLTPYVTBW-ZZEZOPTASA-N
MW376.87 g/mol
LogP4.13
Rot. Bonds4

About N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide

N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide (PubChem CID 2105025) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
PubChem CID2105025
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
SMILESCCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2O3S/c1-4-21-16-14(19)6-5-7-15(16)25-18(21)20-17(22)11-8-12(23-2)10-13(9-11)24-3/h5-10H,4H2,1-3H3/b20-18-
InChIKeyYMDDDRLTPYVTBW-ZZEZOPTASA-N
XLogP4.13
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5222427
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 41149499
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4189411
ethyl 2-[2-(3,5-dimethoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate
CID 7153437
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 3589583
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 5225520
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4192621
N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 2151352
ethyl 2-[4-chloro-2-(3,4-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41203959
methyl 4-[(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 2151398
methyl 2-[2-(4-acetylbenzoyl)imino-4-chloro-1,3-benzothiazol-3-yl]acetate
CID 7153650

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
The IUPAC name of N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide (CID 2105025) is N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide is CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cccc(Cl)c21.
What is the InChIKey of N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
The InChIKey is YMDDDRLTPYVTBW-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-4-21-16-14(19)6-5-7-15(16)25-18(21)20-17(22)11-8-12(23-2)10-13(9-11)24-3/h5-10H,4H2,1-3H3/b20-18-.
What are the key properties of N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide has a molecular weight of 376.87 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide is sourced from PubChem (CID 2105025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).