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

C8H11N5OS — CID 103382963

IUPAC2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1snc(N)c1C#N
InChIInChI=1S/C8H11N5OS/c1-2-11-6(14)4-12-8-5(3-9)7(10)13-15-8/h12H,2,4H2,1H3,(H2,10,13)(H,11,14)
InChIKeyDWJOMXOUOZAYHF-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.14
Rot. Bonds4

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

2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide (PubChem CID 103382963) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide
PubChem CID103382963
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1snc(N)c1C#N
InChIInChI=1S/C8H11N5OS/c1-2-11-6(14)4-12-8-5(3-9)7(10)13-15-8/h12H,2,4H2,1H3,(H2,10,13)(H,11,14)
InChIKeyDWJOMXOUOZAYHF-UHFFFAOYSA-N
XLogP0.14
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide (CID 103382963) is 2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1snc(N)c1C#N.
What is the InChIKey of 2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide?
The InChIKey is DWJOMXOUOZAYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-2-11-6(14)4-12-8-5(3-9)7(10)13-15-8/h12H,2,4H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of 2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide?
2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide has a molecular weight of 225.28 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 103382963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).