3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C17H16N2O2S — CID 26693829

IUPAC3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(C)sc3c2)ccc1C
InChIInChI=1S/C17H16N2O2S/c1-10-4-5-12(8-15(10)21-3)17(20)19-13-6-7-14-16(9-13)22-11(2)18-14/h4-9H,1-3H3,(H,19,20)
InChIKeyXVWMPDFBIIKWPX-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.17
Rot. Bonds3

About 3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 26693829) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID26693829
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(C)sc3c2)ccc1C
InChIInChI=1S/C17H16N2O2S/c1-10-4-5-12(8-15(10)21-3)17(20)19-13-6-7-14-16(9-13)22-11(2)18-14/h4-9H,1-3H3,(H,19,20)
InChIKeyXVWMPDFBIIKWPX-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-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
3-bromo-4-ethoxy-5-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4800118
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 8853021
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 55768753
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 26693829) is 3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is COc1cc(C(=O)Nc2ccc3nc(C)sc3c2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is XVWMPDFBIIKWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10-4-5-12(8-15(10)21-3)17(20)19-13-6-7-14-16(9-13)22-11(2)18-14/h4-9H,1-3H3,(H,19,20).
What are the key properties of 3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-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-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 26693829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).