2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride

C5H8Cl2N4S — CID 15572355

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(CCl)cs1
InChIInChI=1S/C5H7ClN4S.ClH/c6-1-3-2-11-5(9-3)10-4(7)8;/h2H,1H2,(H4,7,8,9,10);1H
InChIKeyHPXWWLGOFMSKHV-UHFFFAOYSA-N
MW227.12 g/mol
LogP1.21
Rot. Bonds2

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride

2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride (PubChem CID 15572355) has the molecular formula C5H8Cl2N4S and a molecular weight of 227.12 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
PubChem CID15572355
Molecular FormulaC5H8Cl2N4S
Molecular Weight227.12 g/mol
Exact Mass225.98
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(CCl)cs1
InChIInChI=1S/C5H7ClN4S.ClH/c6-1-3-2-11-5(9-3)10-4(7)8;/h2H,1H2,(H4,7,8,9,10);1H
InChIKeyHPXWWLGOFMSKHV-UHFFFAOYSA-N
XLogP1.21
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.12
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-methylthiazole
CID 74143
(2-Amino-1,3-thiazol-4-YL)methyl imidothiocarbamate dihydrochloride
CID 73232
2-Thiazolamine, 4-methyl-, hydrochloride (1:1)
CID 80240
2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)
CID 73228
4-Chloromethylthiazol-2-ylamine
CID 73229
S-((2-Guanidino-4-thiazoyl)methyl) isothiourea hydrochloride
CID 16217034
Agr 307
CID 73233
N-(4-methyl-1,3-thiazol-2-yl)guanidine
CID 2776666
N''-(4-Methyl-1,3-thiazol-2-yl)guanidine--hydrogen chloride (1/1)
CID 2776665
(2-Carbamimidamido-1,3-thiazol-4-yl)methyl carbamimidothioate dihydrochloride
CID 11289662
4-(Trideuteriomethyl)-1,3-thiazol-2-amine
CID 45785356
(2-((Diaminomethylidene)amino)thiazol-4-yl)methyl carbamimidothioate
CID 1872420

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride (CID 15572355) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride is Cl.NC(N)=Nc1nc(CCl)cs1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
The InChIKey is HPXWWLGOFMSKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4S.ClH/c6-1-3-2-11-5(9-3)10-4(7)8;/h2H,1H2,(H4,7,8,9,10);1H.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride has a molecular weight of 227.12 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride is sourced from PubChem (CID 15572355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).