2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide

C12H14N4O2S — CID 60657186

IUPAC2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C12H14N4O2S/c1-16(2)10(17)6-14-11(18)7-3-4-8-9(5-7)19-12(13)15-8/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyFJQPUIWLANLSJD-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.70
Rot. Bonds3

About 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 60657186) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID60657186
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C12H14N4O2S/c1-16(2)10(17)6-14-11(18)7-3-4-8-9(5-7)19-12(13)15-8/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyFJQPUIWLANLSJD-UHFFFAOYSA-N
XLogP0.70
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide
CID 103461431
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349363
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(3-formamidopropyl)-1,3-benzothiazole-6-carboxamide
CID 82547182
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349456
2-amino-N-pent-4-enyl-1,3-benzothiazole-6-carboxamide
CID 114264869
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide (CID 60657186) is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide is CN(C)C(=O)CNC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is FJQPUIWLANLSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-16(2)10(17)6-14-11(18)7-3-4-8-9(5-7)19-12(13)15-8/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,18).
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60657186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).