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

C15H12N2O2S — CID 724615

IUPACN-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H12N2O2S/c1-19-11-8-6-10(7-9-11)16-14(18)15-17-12-4-2-3-5-13(12)20-15/h2-9H,1H3,(H,16,18)
InChIKeyAMWCIUSDQZXUTB-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds3

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

N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 724615) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
PubChem CID724615
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H12N2O2S/c1-19-11-8-6-10(7-9-11)16-14(18)15-17-12-4-2-3-5-13(12)20-15/h2-9H,1H3,(H,16,18)
InChIKeyAMWCIUSDQZXUTB-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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Related Compounds

N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
1-(1,3-benzothiazol-2-ylmethyl)-3-(4-methoxyphenyl)-1-methylurea
CID 30938717
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122297707
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 16917858
(E)-3-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 7733790
3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 86129650
N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide
CID 110700628
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 1104009
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 18585512
N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide
CID 122304064

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide (CID 724615) is N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide is COc1ccc(NC(=O)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is AMWCIUSDQZXUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-11-8-6-10(7-9-11)16-14(18)15-17-12-4-2-3-5-13(12)20-15/h2-9H,1H3,(H,16,18).
What are the key properties of N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide?
N-(4-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-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 724615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).