N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide

C17H14Cl2N2OS — CID 40885526

IUPACN-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)/N=c2\sc3cc(Cl)cc(Cl)c3n2C)c1
InChIInChI=1S/C17H14Cl2N2OS/c1-9-4-5-10(2)12(6-9)16(22)20-17-21(3)15-13(19)7-11(18)8-14(15)23-17/h4-8H,1-3H3/b20-17-
InChIKeyBQKKOKLTVFSNAQ-JZJYNLBNSA-N
MW365.29 g/mol
LogP4.90
Rot. Bonds1

About N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide

N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide (PubChem CID 40885526) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
PubChem CID40885526
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC NameN-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)/N=c2\sc3cc(Cl)cc(Cl)c3n2C)c1
InChIInChI=1S/C17H14Cl2N2OS/c1-9-4-5-10(2)12(6-9)16(22)20-17-21(3)15-13(19)7-11(18)8-14(15)23-17/h4-8H,1-3H3/b20-17-
InChIKeyBQKKOKLTVFSNAQ-JZJYNLBNSA-N
XLogP4.90
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885103
2,5-dichloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 4517411
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885678
2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885528
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)-4-fluorobenzamide
CID 40885128
N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
CID 43944704
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 2150940
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
CID 40885538
N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,5-dimethylbenzamide
CID 41124563
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3506442
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide?
The IUPAC name of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide (CID 40885526) is N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide?
The canonical SMILES for N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)/N=c2\sc3cc(Cl)cc(Cl)c3n2C)c1.
What is the InChIKey of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide?
The InChIKey is BQKKOKLTVFSNAQ-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-9-4-5-10(2)12(6-9)16(22)20-17-21(3)15-13(19)7-11(18)8-14(15)23-17/h4-8H,1-3H3/b20-17-.
What are the key properties of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide?
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide has a molecular weight of 365.29 g/mol, XLogP of 4.90, 1 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-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide is sourced from PubChem (CID 40885526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).