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

C10H10Cl2N4S — CID 24854747

IUPAC2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN4S.ClH/c11-7-3-1-6(2-4-7)8-5-16-10(14-8)15-9(12)13;/h1-5H,(H4,12,13,14,15);1H
InChIKeySMFFUGYAYNJBIF-UHFFFAOYSA-N
MW289.19 g/mol
LogP2.79
Rot. Bonds2

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

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride (PubChem CID 24854747) has the molecular formula C10H10Cl2N4S and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
PubChem CID24854747
Molecular FormulaC10H10Cl2N4S
Molecular Weight289.19 g/mol
Exact Mass288.00
IUPAC Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN4S.ClH/c11-7-3-1-6(2-4-7)8-5-16-10(14-8)15-9(12)13;/h1-5H,(H4,12,13,14,15);1H
InChIKeySMFFUGYAYNJBIF-UHFFFAOYSA-N
XLogP2.79
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 52.79
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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Related Compounds

2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
CID 24938739
2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]guanidine
CID 87544723
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854875
2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride
CID 24854754
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 142693097
2-[4-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-thiazol-2-yl]guanidine
CID 87545305
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride
CID 67850414
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 18322948
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride
CID 18953872
2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854880

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
The IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride (CID 24854747) is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride is Cl.NC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
The InChIKey is SMFFUGYAYNJBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S.ClH/c11-7-3-1-6(2-4-7)8-5-16-10(14-8)15-9(12)13;/h1-5H,(H4,12,13,14,15);1H.
What are the key properties of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride?
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride has a molecular weight of 289.19 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride is sourced from PubChem (CID 24854747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).