5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine

C7H6ClN3S — CID 64983084

IUPAC5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine
SMILESNc1ncc(-c2ccc(Cl)s2)[nH]1
InChIInChI=1S/C7H6ClN3S/c8-6-2-1-5(12-6)4-3-10-7(9)11-4/h1-3H,(H3,9,10,11)
InChIKeyMPHYDYIYXCILFD-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.37
Rot. Bonds1

About 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine

5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine (PubChem CID 64983084) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine
PubChem CID64983084
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine
SMILESNc1ncc(-c2ccc(Cl)s2)[nH]1
InChIInChI=1S/C7H6ClN3S/c8-6-2-1-5(12-6)4-3-10-7(9)11-4/h1-3H,(H3,9,10,11)
InChIKeyMPHYDYIYXCILFD-UHFFFAOYSA-N
XLogP2.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine (CID 64983084) is 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine is Nc1ncc(-c2ccc(Cl)s2)[nH]1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine?
The InChIKey is MPHYDYIYXCILFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c8-6-2-1-5(12-6)4-3-10-7(9)11-4/h1-3H,(H3,9,10,11).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine?
5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine has a molecular weight of 199.67 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 64983084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).