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

C12H15BrN4S — CID 24854875

IUPAC2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
SMILESBr.CCc1ccc(-c2csc(N=C(N)N)n2)cc1
InChIInChI=1S/C12H14N4S.BrH/c1-2-8-3-5-9(6-4-8)10-7-17-12(15-10)16-11(13)14;/h3-7H,2H2,1H3,(H4,13,14,15,16);1H
InChIKeyXNKDRENXWZYVEW-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.86
Rot. Bonds3

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

2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide (PubChem CID 24854875) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
PubChem CID24854875
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
SMILESBr.CCc1ccc(-c2csc(N=C(N)N)n2)cc1
InChIInChI=1S/C12H14N4S.BrH/c1-2-8-3-5-9(6-4-8)10-7-17-12(15-10)16-11(13)14;/h3-7H,2H2,1H3,(H4,13,14,15,16);1H
InChIKeyXNKDRENXWZYVEW-UHFFFAOYSA-N
XLogP2.86
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.86
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
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 24854747
2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]guanidine
CID 87544723
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 18322948
2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride
CID 24854754
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 24855468
2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine
CID 10264073
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 142693097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The IUPAC name of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide (CID 24854875) is 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The canonical SMILES for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide is Br.CCc1ccc(-c2csc(N=C(N)N)n2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The InChIKey is XNKDRENXWZYVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S.BrH/c1-2-8-3-5-9(6-4-8)10-7-17-12(15-10)16-11(13)14;/h3-7H,2H2,1H3,(H4,13,14,15,16);1H.
What are the key properties of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide has a molecular weight of 327.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide is sourced from PubChem (CID 24854875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).