2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C15H9Cl3N2OS — CID 40885103

IUPAC2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2ccccc2Cl)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C15H9Cl3N2OS/c1-20-13-11(18)6-8(16)7-12(13)22-15(20)19-14(21)9-4-2-3-5-10(9)17/h2-7H,1H3/b19-15-
InChIKeyGFVBTHOZAPFUCB-CYVLTUHYSA-N
MW371.68 g/mol
LogP4.94
Rot. Bonds1

About 2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 40885103) has the molecular formula C15H9Cl3N2OS and a molecular weight of 371.68 g/mol. Its IUPAC name is 2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID40885103
Molecular FormulaC15H9Cl3N2OS
Molecular Weight371.68 g/mol
Exact Mass369.95
IUPAC Name2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2ccccc2Cl)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C15H9Cl3N2OS/c1-20-13-11(18)6-8(16)7-12(13)22-15(20)19-14(21)9-4-2-3-5-10(9)17/h2-7H,1H3/b19-15-
InChIKeyGFVBTHOZAPFUCB-CYVLTUHYSA-N
XLogP4.94
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.68
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 4517411
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885526
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 40885128
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide
CID 40885342
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 2150940
2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151031
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
CID 42387958
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
CID 2104662
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3506442
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 40885347
2,4-dichloro-N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43938634
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 40885103) is 2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is Cn1/c(=N/C(=O)c2ccccc2Cl)sc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is GFVBTHOZAPFUCB-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H9Cl3N2OS/c1-20-13-11(18)6-8(16)7-12(13)22-15(20)19-14(21)9-4-2-3-5-10(9)17/h2-7H,1H3/b19-15-.
What are the key properties of 2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 371.68 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 40885103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).