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

C7H9Br2N5S2 — CID 23321326

IUPAC2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide
SMILESBr.Br.NC(N)=Nc1nc(-c2cscn2)cs1
InChIInChI=1S/C7H7N5S2.2BrH/c8-6(9)12-7-11-5(2-14-7)4-1-13-3-10-4;;/h1-3H,(H4,8,9,11,12);2*1H
InChIKeyHQJOVVJTCQROAG-UHFFFAOYSA-N
MW387.13 g/mol
LogP2.33
Rot. Bonds2

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

2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide (PubChem CID 23321326) has the molecular formula C7H9Br2N5S2 and a molecular weight of 387.13 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide
PubChem CID23321326
Molecular FormulaC7H9Br2N5S2
Molecular Weight387.13 g/mol
Exact Mass384.87
IUPAC Name2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide
SMILESBr.Br.NC(N)=Nc1nc(-c2cscn2)cs1
InChIInChI=1S/C7H7N5S2.2BrH/c8-6(9)12-7-11-5(2-14-7)4-1-13-3-10-4;;/h1-3H,(H4,8,9,11,12);2*1H
InChIKeyHQJOVVJTCQROAG-UHFFFAOYSA-N
XLogP2.33
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.13
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride
CID 18953872
2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine
CID 10264073
2-[4-(furan-2-yl)-1,3-thiazol-2-yl]guanidine
CID 13387169
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854875
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 18322948
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 24854747
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 142693097
2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854880
6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride
CID 18953863
2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine
CID 88747810
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide?
The IUPAC name of 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide (CID 23321326) is 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide.
What is the SMILES notation for 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide?
The canonical SMILES for 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide is Br.Br.NC(N)=Nc1nc(-c2cscn2)cs1.
What is the InChIKey of 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide?
The InChIKey is HQJOVVJTCQROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S2.2BrH/c8-6(9)12-7-11-5(2-14-7)4-1-13-3-10-4;;/h1-3H,(H4,8,9,11,12);2*1H.
What are the key properties of 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide?
2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide has a molecular weight of 387.13 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide is sourced from PubChem (CID 23321326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).