3-(thian-3-yl)imidazol-4-amine

C8H13N3S — CID 84732553

IUPAC3-(thian-3-yl)imidazol-4-amine
SMILESNc1cncn1C1CCCSC1
InChIInChI=1S/C8H13N3S/c9-8-4-10-6-11(8)7-2-1-3-12-5-7/h4,6-7H,1-3,5,9H2
InChIKeyTXWJGNAEIABCCD-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.53
Rot. Bonds1

About 3-(thian-3-yl)imidazol-4-amine

3-(thian-3-yl)imidazol-4-amine (PubChem CID 84732553) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-(thian-3-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-(thian-3-yl)imidazol-4-amine
PubChem CID84732553
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-(thian-3-yl)imidazol-4-amine
SMILESNc1cncn1C1CCCSC1
InChIInChI=1S/C8H13N3S/c9-8-4-10-6-11(8)7-2-1-3-12-5-7/h4,6-7H,1-3,5,9H2
InChIKeyTXWJGNAEIABCCD-UHFFFAOYSA-N
XLogP1.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thian-3-yl)imidazol-4-amine?
The IUPAC name of 3-(thian-3-yl)imidazol-4-amine (CID 84732553) is 3-(thian-3-yl)imidazol-4-amine.
What is the SMILES notation for 3-(thian-3-yl)imidazol-4-amine?
The canonical SMILES for 3-(thian-3-yl)imidazol-4-amine is Nc1cncn1C1CCCSC1.
What is the InChIKey of 3-(thian-3-yl)imidazol-4-amine?
The InChIKey is TXWJGNAEIABCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-8-4-10-6-11(8)7-2-1-3-12-5-7/h4,6-7H,1-3,5,9H2.
What are the key properties of 3-(thian-3-yl)imidazol-4-amine?
3-(thian-3-yl)imidazol-4-amine has a molecular weight of 183.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-3-yl)imidazol-4-amine is sourced from PubChem (CID 84732553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).