N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide

C12H14N4O2S — CID 60636547

IUPACN-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C12H14N4O2S/c1-7(17)14-4-5-15-11(18)8-2-3-9-10(6-8)19-12(13)16-9/h2-3,6H,4-5H2,1H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyNGSKEHKKGHZSCU-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.74
Rot. Bonds4

About N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide

N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide (PubChem CID 60636547) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
PubChem CID60636547
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C12H14N4O2S/c1-7(17)14-4-5-15-11(18)8-2-3-9-10(6-8)19-12(13)16-9/h2-3,6H,4-5H2,1H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyNGSKEHKKGHZSCU-UHFFFAOYSA-N
XLogP0.74
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-2-amino-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

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
2-amino-N-(3-formamidopropyl)-1,3-benzothiazole-6-carboxamide
CID 82547182
2-amino-N-pent-4-enyl-1,3-benzothiazole-6-carboxamide
CID 114264869
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349363
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-[2-(3-hydroxypropylsulfanyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 106310864
2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 65349253
2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 60636910
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide (CID 60636547) is N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide is CC(=O)NCCNC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide?
The InChIKey is NGSKEHKKGHZSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7(17)14-4-5-15-11(18)8-2-3-9-10(6-8)19-12(13)16-9/h2-3,6H,4-5H2,1H3,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide?
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60636547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).