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

C13H15N3OS — CID 113498617

IUPAC2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
SMILESC=C(C)CN(C)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H15N3OS/c1-8(2)7-16(3)12(17)9-4-5-10-11(6-9)18-13(14)15-10/h4-6H,1,7H2,2-3H3,(H2,14,15)
InChIKeyZONRWLURRZXTKQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.53
Rot. Bonds3

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

2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 113498617) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
PubChem CID113498617
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
SMILESC=C(C)CN(C)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H15N3OS/c1-8(2)7-16(3)12(17)9-4-5-10-11(6-9)18-13(14)15-10/h4-6H,1,7H2,2-3H3,(H2,14,15)
InChIKeyZONRWLURRZXTKQ-UHFFFAOYSA-N
XLogP2.53
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60668647
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349208
2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60655382
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
ethyl 2-amino-1,3-benzothiazole-6-carboxylate;methanimine
CID 164572058

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide (CID 113498617) is 2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide is C=C(C)CN(C)C(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZONRWLURRZXTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8(2)7-16(3)12(17)9-4-5-10-11(6-9)18-13(14)15-10/h4-6H,1,7H2,2-3H3,(H2,14,15).
What are the key properties of 2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 113498617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).