N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide

C17H15ClN2O3S — CID 4666362

IUPACN-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)c1
InChIInChI=1S/C17H15ClN2O3S/c1-20-14-5-4-11(18)8-15(14)24-17(20)19-16(21)10-6-12(22-2)9-13(7-10)23-3/h4-9H,1-3H3/b19-17-
InChIKeyMYWYEUOXWPYBCX-ZPHPHTNESA-N
MW362.84 g/mol
LogP3.65
Rot. Bonds3

About N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide

N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide (PubChem CID 4666362) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
PubChem CID4666362
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)c1
InChIInChI=1S/C17H15ClN2O3S/c1-20-14-5-4-11(18)8-15(14)24-17(20)19-16(21)10-6-12(22-2)9-13(7-10)23-3/h4-9H,1-3H3/b19-17-
InChIKeyMYWYEUOXWPYBCX-ZPHPHTNESA-N
XLogP3.65
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4670224
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide
CID 4320569
methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 5183743
4-chloro-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40508845
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 4564147
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 5197134
3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4641541
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 5225520
4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4231281
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 4658804
3,5-dichloro-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3554328
4-chloro-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4146348

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
The IUPAC name of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide (CID 4666362) is N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)c1.
What is the InChIKey of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
The InChIKey is MYWYEUOXWPYBCX-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-20-14-5-4-11(18)8-15(14)24-17(20)19-16(21)10-6-12(22-2)9-13(7-10)23-3/h4-9H,1-3H3/b19-17-.
What are the key properties of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide has a molecular weight of 362.84 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide is sourced from PubChem (CID 4666362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).