1-(1,3-thiazol-2-yl)imidazol-2-amine

C6H6N4S — CID 123836247

IUPAC1-(1,3-thiazol-2-yl)imidazol-2-amine
SMILESNc1nccn1-c1nccs1
InChIInChI=1S/C6H6N4S/c7-5-8-1-3-10(5)6-9-2-4-11-6/h1-4H,(H2,7,8)
InChIKeyJRWFCJUCMNLGTJ-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.91
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)imidazol-2-amine

1-(1,3-thiazol-2-yl)imidazol-2-amine (PubChem CID 123836247) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)imidazol-2-amine
PubChem CID123836247
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name1-(1,3-thiazol-2-yl)imidazol-2-amine
SMILESNc1nccn1-c1nccs1
InChIInChI=1S/C6H6N4S/c7-5-8-1-3-10(5)6-9-2-4-11-6/h1-4H,(H2,7,8)
InChIKeyJRWFCJUCMNLGTJ-UHFFFAOYSA-N
XLogP0.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)imidazol-2-amine?
The IUPAC name of 1-(1,3-thiazol-2-yl)imidazol-2-amine (CID 123836247) is 1-(1,3-thiazol-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)imidazol-2-amine is Nc1nccn1-c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)imidazol-2-amine?
The InChIKey is JRWFCJUCMNLGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c7-5-8-1-3-10(5)6-9-2-4-11-6/h1-4H,(H2,7,8).
What are the key properties of 1-(1,3-thiazol-2-yl)imidazol-2-amine?
1-(1,3-thiazol-2-yl)imidazol-2-amine has a molecular weight of 166.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)imidazol-2-amine is sourced from PubChem (CID 123836247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).