5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine

C6H6N4S — CID 66202877

IUPAC5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine
SMILESNc1ncc(-c2nccs2)[nH]1
InChIInChI=1S/C6H6N4S/c7-6-9-3-4(10-6)5-8-1-2-11-5/h1-3H,(H3,7,9,10)
InChIKeyXIBVPBSCJHSXLI-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.12
Rot. Bonds1

About 5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine

5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine (PubChem CID 66202877) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine
PubChem CID66202877
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine
SMILESNc1ncc(-c2nccs2)[nH]1
InChIInChI=1S/C6H6N4S/c7-6-9-3-4(10-6)5-8-1-2-11-5/h1-3H,(H3,7,9,10)
InChIKeyXIBVPBSCJHSXLI-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine?
The IUPAC name of 5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine (CID 66202877) is 5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine?
The canonical SMILES for 5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine is Nc1ncc(-c2nccs2)[nH]1.
What is the InChIKey of 5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine?
The InChIKey is XIBVPBSCJHSXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c7-6-9-3-4(10-6)5-8-1-2-11-5/h1-3H,(H3,7,9,10).
What are the key properties of 5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine?
5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine has a molecular weight of 166.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 66202877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).