N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide

C15H12N2O2S — CID 110700614

IUPACN-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nc3ccccc3s2)c1
InChIInChI=1S/C15H12N2O2S/c1-19-11-6-4-5-10(9-11)16-14(18)15-17-12-7-2-3-8-13(12)20-15/h2-9H,1H3,(H,16,18)
InChIKeyHHAJLUUYJXNKGL-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds3

About N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide

N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 110700614) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
PubChem CID110700614
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nc3ccccc3s2)c1
InChIInChI=1S/C15H12N2O2S/c1-19-11-6-4-5-10(9-11)16-14(18)15-17-12-7-2-3-8-13(12)20-15/h2-9H,1H3,(H,16,18)
InChIKeyHHAJLUUYJXNKGL-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide (CID 110700614) is N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide is COc1cccc(NC(=O)c2nc3ccccc3s2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is HHAJLUUYJXNKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-11-6-4-5-10(9-11)16-14(18)15-17-12-7-2-3-8-13(12)20-15/h2-9H,1H3,(H,16,18).
What are the key properties of N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide?
N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 110700614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).