2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride

C10H15Cl2N5S2 — CID 67850414

IUPAC2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride
SMILESCl.Cl.NCCc1ccc(-c2csc(N=C(N)N)n2)s1
InChIInChI=1S/C10H13N5S2.2ClH/c11-4-3-6-1-2-8(17-6)7-5-16-10(14-7)15-9(12)13;;/h1-2,5H,3-4,11H2,(H4,12,13,14,15);2*1H
InChIKeyNURGUBZTEDFQGM-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.12
Rot. Bonds4

About 2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride

2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride (PubChem CID 67850414) has the molecular formula C10H15Cl2N5S2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride
PubChem CID67850414
Molecular FormulaC10H15Cl2N5S2
Molecular Weight340.31 g/mol
Exact Mass339.01
IUPAC Name2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride
SMILESCl.Cl.NCCc1ccc(-c2csc(N=C(N)N)n2)s1
InChIInChI=1S/C10H13N5S2.2ClH/c11-4-3-6-1-2-8(17-6)7-5-16-10(14-7)15-9(12)13;;/h1-2,5H,3-4,11H2,(H4,12,13,14,15);2*1H
InChIKeyNURGUBZTEDFQGM-UHFFFAOYSA-N
XLogP2.12
TPSA103.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.12
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-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride?
The IUPAC name of 2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride (CID 67850414) is 2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride.
What is the SMILES notation for 2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride?
The canonical SMILES for 2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride is Cl.Cl.NCCc1ccc(-c2csc(N=C(N)N)n2)s1.
What is the InChIKey of 2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride?
The InChIKey is NURGUBZTEDFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2.2ClH/c11-4-3-6-1-2-8(17-6)7-5-16-10(14-7)15-9(12)13;;/h1-2,5H,3-4,11H2,(H4,12,13,14,15);2*1H.
What are the key properties of 2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride?
2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride has a molecular weight of 340.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride is sourced from PubChem (CID 67850414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).