2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide

C11H14N4OS — CID 43566791

IUPAC2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc2scnc2c1N
InChIInChI=1S/C11H14N4OS/c1-2-13-9(16)5-14-7-3-4-8-11(10(7)12)15-6-17-8/h3-4,6,14H,2,5,12H2,1H3,(H,13,16)
InChIKeyOQNVXXHCKYTIAM-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.43
Rot. Bonds4

About 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide

2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide (PubChem CID 43566791) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide
PubChem CID43566791
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc2scnc2c1N
InChIInChI=1S/C11H14N4OS/c1-2-13-9(16)5-14-7-3-4-8-11(10(7)12)15-6-17-8/h3-4,6,14H,2,5,12H2,1H3,(H,13,16)
InChIKeyOQNVXXHCKYTIAM-UHFFFAOYSA-N
XLogP1.43
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide 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

1-[(4-amino-1,3-benzothiazol-5-yl)amino]-2-methylbutan-2-ol
CID 65103004
2-[(4-amino-1,3-benzothiazol-5-yl)amino]propane-1,3-diol
CID 65315305
5-N-(2-methylsulfanylethyl)-1,3-benzothiazole-4,5-diamine
CID 63983982
5-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzothiazole-4,5-diamine
CID 106007437
5-N-[2-[ethyl(methyl)amino]ethyl]-1,3-benzothiazole-4,5-diamine
CID 55097949
5-[(4-amino-1,3-benzothiazol-5-yl)amino]pentan-1-ol
CID 107316527
5-N-[(4-ethylcyclohexyl)methyl]-1,3-benzothiazole-4,5-diamine
CID 63406027
2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106749
5-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazole-4,5-diamine
CID 114169082
5-ethylsulfonyl-1,3-benzothiazol-4-amine
CID 43451183
2-(2-aminoanilino)-N-ethylacetamide
CID 43566808
5-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzothiazole-4,5-diamine
CID 79352825

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide (CID 43566791) is 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1ccc2scnc2c1N.
What is the InChIKey of 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide?
The InChIKey is OQNVXXHCKYTIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-13-9(16)5-14-7-3-4-8-11(10(7)12)15-6-17-8/h3-4,6,14H,2,5,12H2,1H3,(H,13,16).
What are the key properties of 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide?
2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide has a molecular weight of 250.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 43566791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).