2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine

C8H6Cl2N4S2 — CID 2806019

IUPAC2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C8H6Cl2N4S2/c9-5-1-3(6(10)16-5)4-2-15-8(13-4)14-7(11)12/h1-2H,(H4,11,12,13,14)
InChIKeyXZVWQNJJRGGNEL-UHFFFAOYSA-N
MW293.20 g/mol
LogP3.08
Rot. Bonds2

About 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine

2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 2806019) has the molecular formula C8H6Cl2N4S2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID2806019
Molecular FormulaC8H6Cl2N4S2
Molecular Weight293.20 g/mol
Exact Mass291.94
IUPAC Name2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C8H6Cl2N4S2/c9-5-1-3(6(10)16-5)4-2-15-8(13-4)14-7(11)12/h1-2H,(H4,11,12,13,14)
InChIKeyXZVWQNJJRGGNEL-UHFFFAOYSA-N
XLogP3.08
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine (CID 2806019) is 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(-c2cc(Cl)sc2Cl)cs1.
What is the InChIKey of 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is XZVWQNJJRGGNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4S2/c9-5-1-3(6(10)16-5)4-2-15-8(13-4)14-7(11)12/h1-2H,(H4,11,12,13,14).
What are the key properties of 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine?
2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 293.20 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 2806019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).