3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

C17H16N2O2S — CID 18126566

IUPAC3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3c(C)cccc3s2)ccc1C
InChIInChI=1S/C17H16N2O2S/c1-10-7-8-12(9-13(10)21-3)16(20)19-17-18-15-11(2)5-4-6-14(15)22-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyCAKZTJJIVDFKSP-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.17
Rot. Bonds3

About 3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 18126566) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID18126566
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3c(C)cccc3s2)ccc1C
InChIInChI=1S/C17H16N2O2S/c1-10-7-8-12(9-13(10)21-3)16(20)19-17-18-15-11(2)5-4-6-14(15)22-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyCAKZTJJIVDFKSP-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide
CID 173125975
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4799893
4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
2-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 9047280

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 18126566) is 3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc3c(C)cccc3s2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is CAKZTJJIVDFKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10-7-8-12(9-13(10)21-3)16(20)19-17-18-15-11(2)5-4-6-14(15)22-17/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 18126566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).