N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide

C16H14N2O2S — CID 1085963

IUPACN-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C16H14N2O2S/c1-10-17-14-8-3-11(9-15(14)21-10)16(19)18-12-4-6-13(20-2)7-5-12/h3-9H,1-2H3,(H,18,19)
InChIKeyANTGCQXXVVWFCQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.87
Rot. Bonds3

About N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide

N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 1085963) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID1085963
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C16H14N2O2S/c1-10-17-14-8-3-11(9-15(14)21-10)16(19)18-12-4-6-13(20-2)7-5-12/h3-9H,1-2H3,(H,18,19)
InChIKeyANTGCQXXVVWFCQ-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide (CID 1085963) is N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide is COc1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is ANTGCQXXVVWFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-17-14-8-3-11(9-15(14)21-10)16(19)18-12-4-6-13(20-2)7-5-12/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 1085963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).