2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride

C9H12Cl2N6S — CID 18953872

IUPAC2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=Nc1nc(-c2cccc(N)n2)cs1
InChIInChI=1S/C9H10N6S.2ClH/c10-7-3-1-2-5(13-7)6-4-16-9(14-6)15-8(11)12;;/h1-4H,(H2,10,13)(H4,11,12,14,15);2*1H
InChIKeyLXYAGBAABZNLRV-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.54
Rot. Bonds2

About 2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride

2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride (PubChem CID 18953872) has the molecular formula C9H12Cl2N6S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride
PubChem CID18953872
Molecular FormulaC9H12Cl2N6S
Molecular Weight307.21 g/mol
Exact Mass306.02
IUPAC Name2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=Nc1nc(-c2cccc(N)n2)cs1
InChIInChI=1S/C9H10N6S.2ClH/c10-7-3-1-2-5(13-7)6-4-16-9(14-6)15-8(11)12;;/h1-4H,(H2,10,13)(H4,11,12,14,15);2*1H
InChIKeyLXYAGBAABZNLRV-UHFFFAOYSA-N
XLogP1.54
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.54
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride?
The IUPAC name of 2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride (CID 18953872) is 2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride.
What is the SMILES notation for 2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride?
The canonical SMILES for 2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride is Cl.Cl.NC(N)=Nc1nc(-c2cccc(N)n2)cs1.
What is the InChIKey of 2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride?
The InChIKey is LXYAGBAABZNLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S.2ClH/c10-7-3-1-2-5(13-7)6-4-16-9(14-6)15-8(11)12;;/h1-4H,(H2,10,13)(H4,11,12,14,15);2*1H.
What are the key properties of 2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride?
2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride has a molecular weight of 307.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride is sourced from PubChem (CID 18953872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).