[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine

C12H20N2OS — CID 114361278

IUPAC[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2CCCOC2)sc1CN
InChIInChI=1S/C12H20N2OS/c1-2-4-10-11(7-13)16-12(14-10)9-5-3-6-15-8-9/h9H,2-8,13H2,1H3
InChIKeyXAIKVNQZEBNDGD-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.45
Rot. Bonds4

About [2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361278) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID114361278
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2CCCOC2)sc1CN
InChIInChI=1S/C12H20N2OS/c1-2-4-10-11(7-13)16-12(14-10)9-5-3-6-15-8-9/h9H,2-8,13H2,1H3
InChIKeyXAIKVNQZEBNDGD-UHFFFAOYSA-N
XLogP2.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 114361278) is [2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(C2CCCOC2)sc1CN.
What is the InChIKey of [2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is XAIKVNQZEBNDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-4-10-11(7-13)16-12(14-10)9-5-3-6-15-8-9/h9H,2-8,13H2,1H3.
What are the key properties of [2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 240.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).