N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide

C16H13ClN2O2S — CID 17100996

IUPACN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCOc1cc2sc(NC(=O)c3ccc(C)cc3)nc2cc1Cl
InChIInChI=1S/C16H13ClN2O2S/c1-9-3-5-10(6-4-9)15(20)19-16-18-12-7-11(17)13(21-2)8-14(12)22-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyMHQFRZQVYCIWHD-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.52
Rot. Bonds3

About N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide (PubChem CID 17100996) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
PubChem CID17100996
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCOc1cc2sc(NC(=O)c3ccc(C)cc3)nc2cc1Cl
InChIInChI=1S/C16H13ClN2O2S/c1-9-3-5-10(6-4-9)15(20)19-16-18-12-7-11(17)13(21-2)8-14(12)22-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyMHQFRZQVYCIWHD-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 40614068
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3161344
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-fluorobenzamide
CID 3909142
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 3582023
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3332338
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 952889
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 39380248
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxybenzamide
CID 3340646
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 17313422
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 39380341
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide (CID 17100996) is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide is COc1cc2sc(NC(=O)c3ccc(C)cc3)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The InChIKey is MHQFRZQVYCIWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-9-3-5-10(6-4-9)15(20)19-16-18-12-7-11(17)13(21-2)8-14(12)22-16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide has a molecular weight of 332.81 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 17100996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).