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

C16H11Cl3N2OS — CID 5222427

IUPAC3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2cc(Cl)cc(Cl)c2)sc2cccc(Cl)c21
InChIInChI=1S/C16H11Cl3N2OS/c1-2-21-14-12(19)4-3-5-13(14)23-16(21)20-15(22)9-6-10(17)8-11(18)7-9/h3-8H,2H2,1H3/b20-16-
InChIKeyKLEDAVPVEZOETD-SILNSSARSA-N
MW385.70 g/mol
LogP5.42
Rot. Bonds2

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

3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 5222427) has the molecular formula C16H11Cl3N2OS and a molecular weight of 385.70 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID5222427
Molecular FormulaC16H11Cl3N2OS
Molecular Weight385.70 g/mol
Exact Mass383.97
IUPAC Name3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2cc(Cl)cc(Cl)c2)sc2cccc(Cl)c21
InChIInChI=1S/C16H11Cl3N2OS/c1-2-21-14-12(19)4-3-5-13(14)23-16(21)20-15(22)9-6-10(17)8-11(18)7-9/h3-8H,2H2,1H3/b20-16-
InChIKeyKLEDAVPVEZOETD-SILNSSARSA-N
XLogP5.42
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.70
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 2105025
2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4189411
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 3589583
ethyl 2-[4-chloro-2-(3-chlorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41203652
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
CID 41149424
4-(azepan-1-ylsulfonyl)-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4612440
3,5-dichloro-N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41202522
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5175515
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 41149499
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4192621
3-chloro-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047892

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 5222427) is 3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide is CCn1/c(=N/C(=O)c2cc(Cl)cc(Cl)c2)sc2cccc(Cl)c21.
What is the InChIKey of 3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is KLEDAVPVEZOETD-SILNSSARSA-N. The full InChI is InChI=1S/C16H11Cl3N2OS/c1-2-21-14-12(19)4-3-5-13(14)23-16(21)20-15(22)9-6-10(17)8-11(18)7-9/h3-8H,2H2,1H3/b20-16-.
What are the key properties of 3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 385.70 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 5222427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).