4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine

C7H11N3S — CID 137078448

IUPAC4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine
SMILES[H]/N=C(\C)c1nc(CC)sc1N
InChIInChI=1S/C7H11N3S/c1-3-5-10-6(4(2)8)7(9)11-5/h8H,3,9H2,1-2H3/b8-4+
InChIKeyNIIRKLCBONPWFT-XBXARRHUSA-N
MW169.25 g/mol
LogP1.68
Rot. Bonds2

About 4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine

4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine (PubChem CID 137078448) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine
PubChem CID137078448
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine
SMILES[H]/N=C(\C)c1nc(CC)sc1N
InChIInChI=1S/C7H11N3S/c1-3-5-10-6(4(2)8)7(9)11-5/h8H,3,9H2,1-2H3/b8-4+
InChIKeyNIIRKLCBONPWFT-XBXARRHUSA-N
XLogP1.68
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine?
The IUPAC name of 4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine (CID 137078448) is 4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine is [H]/N=C(\C)c1nc(CC)sc1N.
What is the InChIKey of 4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine?
The InChIKey is NIIRKLCBONPWFT-XBXARRHUSA-N. The full InChI is InChI=1S/C7H11N3S/c1-3-5-10-6(4(2)8)7(9)11-5/h8H,3,9H2,1-2H3/b8-4+.
What are the key properties of 4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine?
4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine has a molecular weight of 169.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-2-ethyl-1,3-thiazol-5-amine is sourced from PubChem (CID 137078448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).