N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide

C16H14N2O2S — CID 26865318

IUPACN-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3ncsc3c2)c1
InChIInChI=1S/C16H14N2O2S/c1-20-13-4-2-3-11(7-13)9-17-16(19)12-5-6-14-15(8-12)21-10-18-14/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyWFTDOQFAFOWHHQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.23
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide

N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 26865318) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID26865318
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3ncsc3c2)c1
InChIInChI=1S/C16H14N2O2S/c1-20-13-4-2-3-11(7-13)9-17-16(19)12-5-6-14-15(8-12)21-10-18-14/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyWFTDOQFAFOWHHQ-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide (CID 26865318) is N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide is COc1cccc(CNC(=O)c2ccc3ncsc3c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is WFTDOQFAFOWHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-13-4-2-3-11(7-13)9-17-16(19)12-5-6-14-15(8-12)21-10-18-14/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide?
N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 26865318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).