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

C22H18N2O2S — CID 1102694

IUPAC3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1
InChIInChI=1S/C22H18N2O2S/c1-14-6-11-19-20(12-14)27-22(24-19)15-7-9-17(10-8-15)23-21(25)16-4-3-5-18(13-16)26-2/h3-13H,1-2H3,(H,23,25)
InChIKeyDEQLMBYHDRGMNW-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.53
Rot. Bonds4

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

3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (PubChem CID 1102694) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
PubChem CID1102694
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1
InChIInChI=1S/C22H18N2O2S/c1-14-6-11-19-20(12-14)27-22(24-19)15-7-9-17(10-8-15)23-21(25)16-4-3-5-18(13-16)26-2/h3-13H,1-2H3,(H,23,25)
InChIKeyDEQLMBYHDRGMNW-UHFFFAOYSA-N
XLogP5.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]benzamide
CID 17226192
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17133073
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide
CID 90596630
1-(4-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 3635740
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 108792592
2-(3-methoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide
CID 4643852
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
3-chloro-6-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 4514238
4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-propan-2-ylsulfonylbenzamide
CID 26844623
3,4-dichloro-N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]benzamide
CID 154464144

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (CID 1102694) is 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The InChIKey is DEQLMBYHDRGMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-14-6-11-19-20(12-14)27-22(24-19)15-7-9-17(10-8-15)23-21(25)16-4-3-5-18(13-16)26-2/h3-13H,1-2H3,(H,23,25).
What are the key properties of 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide has a molecular weight of 374.47 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1102694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).