2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride

C5H9ClN4S — CID 2776665

IUPAC2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride
SMILESCc1csc(N=C(N)N)n1.Cl
InChIInChI=1S/C5H8N4S.ClH/c1-3-2-10-5(8-3)9-4(6)7;/h2H,1H3,(H4,6,7,8,9);1H
InChIKeyAYUMBOOFVFTIOJ-UHFFFAOYSA-N
MW192.68 g/mol
LogP0.78
Rot. Bonds1

About 2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride

2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride (PubChem CID 2776665) has the molecular formula C5H9ClN4S and a molecular weight of 192.68 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride
PubChem CID2776665
Molecular FormulaC5H9ClN4S
Molecular Weight192.68 g/mol
Exact Mass192.02
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride
SMILESCc1csc(N=C(N)N)n1.Cl
InChIInChI=1S/C5H8N4S.ClH/c1-3-2-10-5(8-3)9-4(6)7;/h2H,1H3,(H4,6,7,8,9);1H
InChIKeyAYUMBOOFVFTIOJ-UHFFFAOYSA-N
XLogP0.78
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.68
LogP ≤ 50.78
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-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride (CID 2776665) is 2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride is Cc1csc(N=C(N)N)n1.Cl.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride?
The InChIKey is AYUMBOOFVFTIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S.ClH/c1-3-2-10-5(8-3)9-4(6)7;/h2H,1H3,(H4,6,7,8,9);1H.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride?
2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride has a molecular weight of 192.68 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 2776665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).