3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine

C10H16N2OS — CID 115028049

IUPAC3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(C2CCOC2)n1
InChIInChI=1S/C10H16N2OS/c11-4-1-2-9-7-14-10(12-9)8-3-5-13-6-8/h7-8H,1-6,11H2
InChIKeyDHXNGACCQYPZFT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.54
Rot. Bonds4

About 3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine

3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115028049) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115028049
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(C2CCOC2)n1
InChIInChI=1S/C10H16N2OS/c11-4-1-2-9-7-14-10(12-9)8-3-5-13-6-8/h7-8H,1-6,11H2
InChIKeyDHXNGACCQYPZFT-UHFFFAOYSA-N
XLogP1.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine (CID 115028049) is 3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine is NCCCc1csc(C2CCOC2)n1.
What is the InChIKey of 3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is DHXNGACCQYPZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-4-1-2-9-7-14-10(12-9)8-3-5-13-6-8/h7-8H,1-6,11H2.
What are the key properties of 3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 212.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115028049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).