2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine

C11H19N3S — CID 114707847

IUPAC2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1C1CCCSC1
InChIInChI=1S/C11H19N3S/c1-11(2,12)10-6-13-8-14(10)9-4-3-5-15-7-9/h6,8-9H,3-5,7,12H2,1-2H3
InChIKeyVOQWGGVZUWSYFG-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.14
Rot. Bonds2

About 2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine

2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine (PubChem CID 114707847) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine
PubChem CID114707847
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1C1CCCSC1
InChIInChI=1S/C11H19N3S/c1-11(2,12)10-6-13-8-14(10)9-4-3-5-15-7-9/h6,8-9H,3-5,7,12H2,1-2H3
InChIKeyVOQWGGVZUWSYFG-UHFFFAOYSA-N
XLogP2.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine (CID 114707847) is 2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1C1CCCSC1.
What is the InChIKey of 2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine?
The InChIKey is VOQWGGVZUWSYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2,12)10-6-13-8-14(10)9-4-3-5-15-7-9/h6,8-9H,3-5,7,12H2,1-2H3.
What are the key properties of 2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine?
2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114707847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).