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'}

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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).