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

C4H5Cl2N3S — CID 66769369

IUPAC2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1csc(Cl)n1
InChIInChI=1S/C4H4ClN3S.ClH/c5-4-8-2(1-9-4)3(6)7;/h1H,(H3,6,7);1H
InChIKeyHUKRYSDXWMUWNH-UHFFFAOYSA-N
MW198.08 g/mol
LogP1.50
Rot. Bonds1

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

2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride (PubChem CID 66769369) has the molecular formula C4H5Cl2N3S and a molecular weight of 198.08 g/mol. Its IUPAC name is 2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride
PubChem CID66769369
Molecular FormulaC4H5Cl2N3S
Molecular Weight198.08 g/mol
Exact Mass196.96
IUPAC Name2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1csc(Cl)n1
InChIInChI=1S/C4H4ClN3S.ClH/c5-4-8-2(1-9-4)3(6)7;/h1H,(H3,6,7);1H
InChIKeyHUKRYSDXWMUWNH-UHFFFAOYSA-N
XLogP1.50
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.08
LogP ≤ 51.50
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-chloro-1,3-thiazole-4-carboximidamide;hydrochloride?
The IUPAC name of 2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride (CID 66769369) is 2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride.
What is the SMILES notation for 2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride?
The canonical SMILES for 2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1csc(Cl)n1.
What is the InChIKey of 2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride?
The InChIKey is HUKRYSDXWMUWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3S.ClH/c5-4-8-2(1-9-4)3(6)7;/h1H,(H3,6,7);1H.
What are the key properties of 2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride?
2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride has a molecular weight of 198.08 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride is sourced from PubChem (CID 66769369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).