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

C6H10ClN3S — CID 67176564

IUPAC2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1csc(CC)n1
InChIInChI=1S/C6H9N3S.ClH/c1-2-5-9-4(3-10-5)6(7)8;/h3H,2H2,1H3,(H3,7,8);1H
InChIKeyUNHBGXYHYVAVPA-UHFFFAOYSA-N
MW191.69 g/mol
LogP1.41
Rot. Bonds2

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

2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride (PubChem CID 67176564) has the molecular formula C6H10ClN3S and a molecular weight of 191.69 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride
PubChem CID67176564
Molecular FormulaC6H10ClN3S
Molecular Weight191.69 g/mol
Exact Mass191.03
IUPAC Name2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1csc(CC)n1
InChIInChI=1S/C6H9N3S.ClH/c1-2-5-9-4(3-10-5)6(7)8;/h3H,2H2,1H3,(H3,7,8);1H
InChIKeyUNHBGXYHYVAVPA-UHFFFAOYSA-N
XLogP1.41
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.69
LogP ≤ 51.41
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;hydrochloride?
The IUPAC name of 2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride (CID 67176564) is 2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride.
What is the SMILES notation for 2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride?
The canonical SMILES for 2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1csc(CC)n1.
What is the InChIKey of 2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride?
The InChIKey is UNHBGXYHYVAVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S.ClH/c1-2-5-9-4(3-10-5)6(7)8;/h3H,2H2,1H3,(H3,7,8);1H.
What are the key properties of 2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride?
2-ethyl-1,3-thiazole-4-carboximidamide;hydrochloride has a molecular weight of 191.69 g/mol, XLogP of 1.41, 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;hydrochloride is sourced from PubChem (CID 67176564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).