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

C7H10Br2N6S2 — CID 13100986

IUPAC2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide
SMILESBr.Br.NC(N)=Nc1nc(-c2csc(N)n2)cs1
InChIInChI=1S/C7H8N6S2.2BrH/c8-5(9)13-7-12-4(2-15-7)3-1-14-6(10)11-3;;/h1-2H,(H2,10,11)(H4,8,9,12,13);2*1H
InChIKeyKVKPPTWDKZOEQA-UHFFFAOYSA-N
MW402.14 g/mol
LogP1.91
Rot. Bonds2

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

2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide (PubChem CID 13100986) has the molecular formula C7H10Br2N6S2 and a molecular weight of 402.14 g/mol. Its IUPAC name is 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide.

Molecular Properties

Compound Name2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide
PubChem CID13100986
Molecular FormulaC7H10Br2N6S2
Molecular Weight402.14 g/mol
Exact Mass399.88
IUPAC Name2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide
SMILESBr.Br.NC(N)=Nc1nc(-c2csc(N)n2)cs1
InChIInChI=1S/C7H8N6S2.2BrH/c8-5(9)13-7-12-4(2-15-7)3-1-14-6(10)11-3;;/h1-2H,(H2,10,11)(H4,8,9,12,13);2*1H
InChIKeyKVKPPTWDKZOEQA-UHFFFAOYSA-N
XLogP1.91
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.14
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide?
The IUPAC name of 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide (CID 13100986) is 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide.
What is the SMILES notation for 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide?
The canonical SMILES for 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide is Br.Br.NC(N)=Nc1nc(-c2csc(N)n2)cs1.
What is the InChIKey of 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide?
The InChIKey is KVKPPTWDKZOEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S2.2BrH/c8-5(9)13-7-12-4(2-15-7)3-1-14-6(10)11-3;;/h1-2H,(H2,10,11)(H4,8,9,12,13);2*1H.
What are the key properties of 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide?
2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide has a molecular weight of 402.14 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide is sourced from PubChem (CID 13100986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).