[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine

C15H18N2OS — CID 81174268

IUPAC[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CC2CCCO2)nc1-c1ccccc1
InChIInChI=1S/C15H18N2OS/c16-10-13-15(11-5-2-1-3-6-11)17-14(19-13)9-12-7-4-8-18-12/h1-3,5-6,12H,4,7-10,16H2
InChIKeyFPDQHQMDQFWUOC-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.99
Rot. Bonds4

About [2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine

[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 81174268) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID81174268
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CC2CCCO2)nc1-c1ccccc1
InChIInChI=1S/C15H18N2OS/c16-10-13-15(11-5-2-1-3-6-11)17-14(19-13)9-12-7-4-8-18-12/h1-3,5-6,12H,4,7-10,16H2
InChIKeyFPDQHQMDQFWUOC-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 81174268) is [2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine is NCc1sc(CC2CCCO2)nc1-c1ccccc1.
What is the InChIKey of [2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is FPDQHQMDQFWUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-10-13-15(11-5-2-1-3-6-11)17-14(19-13)9-12-7-4-8-18-12/h1-3,5-6,12H,4,7-10,16H2.
What are the key properties of [2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 274.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 81174268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).