N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide

C17H14Cl2N2OS — CID 40885342

IUPACN-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2C)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C17H14Cl2N2OS/c1-3-21-15-13(19)8-11(18)9-14(15)23-17(21)20-16(22)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3/b20-17-
InChIKeyKKONGMDQRNQPML-JZJYNLBNSA-N
MW365.29 g/mol
LogP5.08
Rot. Bonds2

About N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide

N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide (PubChem CID 40885342) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide
PubChem CID40885342
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC NameN-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2C)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C17H14Cl2N2OS/c1-3-21-15-13(19)8-11(18)9-14(15)23-17(21)20-16(22)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3/b20-17-
InChIKeyKKONGMDQRNQPML-JZJYNLBNSA-N
XLogP5.08
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 40885347
N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 40885354
2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885103
ethyl 2-[4,6-dichloro-2-(2-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41204287
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885526
N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
CID 43944704
N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 40885271
3-chloro-N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
CID 3563539
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203162
2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4189411
N-[4,6-dichloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41202306

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide?
The IUPAC name of N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide (CID 40885342) is N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide.
What is the SMILES notation for N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide?
The canonical SMILES for N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide is CCn1/c(=N/C(=O)c2ccccc2C)sc2cc(Cl)cc(Cl)c21.
What is the InChIKey of N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide?
The InChIKey is KKONGMDQRNQPML-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-3-21-15-13(19)8-11(18)9-14(15)23-17(21)20-16(22)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3/b20-17-.
What are the key properties of N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide?
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide has a molecular weight of 365.29 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide is sourced from PubChem (CID 40885342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).