2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide

C10H9BrF2N4S — CID 24854880

IUPAC2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
SMILESBr.NC(N)=Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C10H8F2N4S.BrH/c11-5-1-2-7(12)6(3-5)8-4-17-10(15-8)16-9(13)14;/h1-4H,(H4,13,14,15,16);1H
InChIKeyXMLWWLWCCDRFTM-UHFFFAOYSA-N
MW335.18 g/mol
LogP2.57
Rot. Bonds2

About 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide

2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide (PubChem CID 24854880) has the molecular formula C10H9BrF2N4S and a molecular weight of 335.18 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
PubChem CID24854880
Molecular FormulaC10H9BrF2N4S
Molecular Weight335.18 g/mol
Exact Mass333.97
IUPAC Name2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
SMILESBr.NC(N)=Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C10H8F2N4S.BrH/c11-5-1-2-7(12)6(3-5)8-4-17-10(15-8)16-9(13)14;/h1-4H,(H4,13,14,15,16);1H
InChIKeyXMLWWLWCCDRFTM-UHFFFAOYSA-N
XLogP2.57
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 52.57
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

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
2-Amino-4,5-diphenylthiazole
CID 73222
2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
CID 96129
4-(4-Cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole
CID 44442376
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The IUPAC name of 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide (CID 24854880) is 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide is Br.NC(N)=Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The InChIKey is XMLWWLWCCDRFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4S.BrH/c11-5-1-2-7(12)6(3-5)8-4-17-10(15-8)16-9(13)14;/h1-4H,(H4,13,14,15,16);1H.
What are the key properties of 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide has a molecular weight of 335.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide is sourced from PubChem (CID 24854880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).