N-benzyl-1,3-benzothiazole-2-carboxamide

C15H12N2OS — CID 900707

IUPACN-benzyl-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C15H12N2OS/c18-14(16-10-11-6-2-1-3-7-11)15-17-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,18)
InChIKeyPXTAJVIEGSLZIH-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.23
Rot. Bonds3

About N-benzyl-1,3-benzothiazole-2-carboxamide

N-benzyl-1,3-benzothiazole-2-carboxamide (PubChem CID 900707) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-benzyl-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,3-benzothiazole-2-carboxamide
PubChem CID900707
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-benzyl-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C15H12N2OS/c18-14(16-10-11-6-2-1-3-7-11)15-17-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,18)
InChIKeyPXTAJVIEGSLZIH-UHFFFAOYSA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Aminophenyl)benzothiazole
CID 234475
Benthiavalicarb
CID 20593234
4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 95755
2-Phenylbenzothiazole
CID 13439
3-(1,3-Benzothiazol-2-yl)aniline
CID 720999
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 9850077
Rwj-50353
CID 9872263
6EL8B8Q1UH
CID 46207982
2-(4'-Methylaminophenyl)benzothiazole
CID 9837643
2-(1,3-Benzothiazol-2-yl)aniline
CID 667680
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide
CID 46925884
(2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-2-phenylacetyl]pyrrolidine-2-carboxamide
CID 23646588

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-benzyl-1,3-benzothiazole-2-carboxamide (CID 900707) is N-benzyl-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-benzyl-1,3-benzothiazole-2-carboxamide is O=C(NCc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-benzyl-1,3-benzothiazole-2-carboxamide?
The InChIKey is PXTAJVIEGSLZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-14(16-10-11-6-2-1-3-7-11)15-17-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,18).
What are the key properties of N-benzyl-1,3-benzothiazole-2-carboxamide?
N-benzyl-1,3-benzothiazole-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 900707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).