N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide

C12H12N2OS — CID 114618628

IUPACN-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
SMILESC=C(C)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C12H12N2OS/c1-8(2)6-13-12(15)9-3-4-10-11(5-9)16-7-14-10/h3-5,7H,1,6H2,2H3,(H,13,15)
InChIKeyFIAXMAPBXUNYOQ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.60
Rot. Bonds3

About N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide

N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 114618628) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
PubChem CID114618628
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
SMILESC=C(C)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C12H12N2OS/c1-8(2)6-13-12(15)9-3-4-10-11(5-9)16-7-14-10/h3-5,7H,1,6H2,2H3,(H,13,15)
InChIKeyFIAXMAPBXUNYOQ-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-but-2-ynyl-1,3-benzothiazole-6-carboxamide;ethane
CID 143657790
N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
CID 65112231
3-(1,3-benzothiazole-6-carbonylamino)butanoic acid
CID 43360749
N,N-diethyl-1,3-benzothiazole-6-carboxamide
CID 60635901
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357
N-(3,7-dimethylocta-2,6-dienyl)-1,3-benzothiazole-6-carboxamide
CID 68864330
N-[(4-pentylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 59192291
N-[2-(2-bromoanilino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 26622964
N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 91817346
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide
CID 103839934

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide (CID 114618628) is N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide is C=C(C)CNC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is FIAXMAPBXUNYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8(2)6-13-12(15)9-3-4-10-11(5-9)16-7-14-10/h3-5,7H,1,6H2,2H3,(H,13,15).
What are the key properties of N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide?
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 114618628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).