2-ethyl-1,3-thiazole-4-carboximidamide

C6H9N3S — CID 45121659

IUPAC2-ethyl-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(CC)n1
InChIInChI=1S/C6H9N3S/c1-2-5-9-4(3-10-5)6(7)8/h3H,2H2,1H3,(H3,7,8)
InChIKeyBXMSAJUSTRXKPU-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.99
Rot. Bonds2

About 2-ethyl-1,3-thiazole-4-carboximidamide

2-ethyl-1,3-thiazole-4-carboximidamide (PubChem CID 45121659) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-1,3-thiazole-4-carboximidamide
PubChem CID45121659
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name2-ethyl-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(CC)n1
InChIInChI=1S/C6H9N3S/c1-2-5-9-4(3-10-5)6(7)8/h3H,2H2,1H3,(H3,7,8)
InChIKeyBXMSAJUSTRXKPU-UHFFFAOYSA-N
XLogP0.99
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazole-4-carboximidamide?
The IUPAC name of 2-ethyl-1,3-thiazole-4-carboximidamide (CID 45121659) is 2-ethyl-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for 2-ethyl-1,3-thiazole-4-carboximidamide?
The canonical SMILES for 2-ethyl-1,3-thiazole-4-carboximidamide is [H]/N=C(\N)c1csc(CC)n1.
What is the InChIKey of 2-ethyl-1,3-thiazole-4-carboximidamide?
The InChIKey is BXMSAJUSTRXKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-2-5-9-4(3-10-5)6(7)8/h3H,2H2,1H3,(H3,7,8).
What are the key properties of 2-ethyl-1,3-thiazole-4-carboximidamide?
2-ethyl-1,3-thiazole-4-carboximidamide has a molecular weight of 155.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 45121659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).