N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide

C17H15ClN2O3S — CID 2150698

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)c1
InChIInChI=1S/C17H15ClN2O3S/c1-9-13(18)4-5-14-15(9)19-17(24-14)20-16(21)10-6-11(22-2)8-12(7-10)23-3/h4-8H,1-3H3,(H,19,20,21)
InChIKeyWWZDFAZVHNDABY-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.53
Rot. Bonds4

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide (PubChem CID 2150698) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
PubChem CID2150698
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)c1
InChIInChI=1S/C17H15ClN2O3S/c1-9-13(18)4-5-14-15(9)19-17(24-14)20-16(21)10-6-11(22-2)8-12(7-10)23-3/h4-8H,1-3H3,(H,19,20,21)
InChIKeyWWZDFAZVHNDABY-UHFFFAOYSA-N
XLogP4.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7192499
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526
2-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-methoxybenzamide
CID 121081442
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7267223
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121080807
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579507
1-tert-butyl-3-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)urea
CID 121082431
methyl 4-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 2150731
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 2332353

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide (CID 2150698) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)c1.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The InChIKey is WWZDFAZVHNDABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-9-13(18)4-5-14-15(9)19-17(24-14)20-16(21)10-6-11(22-2)8-12(7-10)23-3/h4-8H,1-3H3,(H,19,20,21).
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide has a molecular weight of 362.84 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 2150698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).