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

C8H12Cl2N6S2 — CID 18953834

IUPAC2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride
SMILESCl.Cl.NCc1nc(-c2csc(N=C(N)N)n2)cs1
InChIInChI=1S/C8H10N6S2.2ClH/c9-1-6-12-4(2-15-6)5-3-16-8(13-5)14-7(10)11;;/h2-3H,1,9H2,(H4,10,11,13,14);2*1H
InChIKeyDJUWKDLGRNSUTO-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.47
Rot. Bonds3

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

2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride (PubChem CID 18953834) has the molecular formula C8H12Cl2N6S2 and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride
PubChem CID18953834
Molecular FormulaC8H12Cl2N6S2
Molecular Weight327.27 g/mol
Exact Mass325.99
IUPAC Name2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride
SMILESCl.Cl.NCc1nc(-c2csc(N=C(N)N)n2)cs1
InChIInChI=1S/C8H10N6S2.2ClH/c9-1-6-12-4(2-15-6)5-3-16-8(13-5)14-7(10)11;;/h2-3H,1,9H2,(H4,10,11,13,14);2*1H
InChIKeyDJUWKDLGRNSUTO-UHFFFAOYSA-N
XLogP1.47
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.47
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'}

Analyze 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride?
The IUPAC name of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride (CID 18953834) is 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride.
What is the SMILES notation for 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride?
The canonical SMILES for 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride is Cl.Cl.NCc1nc(-c2csc(N=C(N)N)n2)cs1.
What is the InChIKey of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride?
The InChIKey is DJUWKDLGRNSUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S2.2ClH/c9-1-6-12-4(2-15-6)5-3-16-8(13-5)14-7(10)11;;/h2-3H,1,9H2,(H4,10,11,13,14);2*1H.
What are the key properties of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride?
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride has a molecular weight of 327.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride is sourced from PubChem (CID 18953834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).