oxolan-2-yl(1,3-thiazol-5-yl)methanamine

C8H12N2OS — CID 164650938

IUPACoxolan-2-yl(1,3-thiazol-5-yl)methanamine
SMILESNC(c1cncs1)C1CCCO1
InChIInChI=1S/C8H12N2OS/c9-8(6-2-1-3-11-6)7-4-10-5-12-7/h4-6,8H,1-3,9H2
InChIKeyRNPTYKDCBVRLRZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.32
Rot. Bonds2

About oxolan-2-yl(1,3-thiazol-5-yl)methanamine

oxolan-2-yl(1,3-thiazol-5-yl)methanamine (PubChem CID 164650938) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is oxolan-2-yl(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Nameoxolan-2-yl(1,3-thiazol-5-yl)methanamine
PubChem CID164650938
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Nameoxolan-2-yl(1,3-thiazol-5-yl)methanamine
SMILESNC(c1cncs1)C1CCCO1
InChIInChI=1S/C8H12N2OS/c9-8(6-2-1-3-11-6)7-4-10-5-12-7/h4-6,8H,1-3,9H2
InChIKeyRNPTYKDCBVRLRZ-UHFFFAOYSA-N
XLogP1.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl(1,3-thiazol-5-yl)methanamine?
The IUPAC name of oxolan-2-yl(1,3-thiazol-5-yl)methanamine (CID 164650938) is oxolan-2-yl(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for oxolan-2-yl(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for oxolan-2-yl(1,3-thiazol-5-yl)methanamine is NC(c1cncs1)C1CCCO1.
What is the InChIKey of oxolan-2-yl(1,3-thiazol-5-yl)methanamine?
The InChIKey is RNPTYKDCBVRLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-8(6-2-1-3-11-6)7-4-10-5-12-7/h4-6,8H,1-3,9H2.
What are the key properties of oxolan-2-yl(1,3-thiazol-5-yl)methanamine?
oxolan-2-yl(1,3-thiazol-5-yl)methanamine has a molecular weight of 184.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 164650938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).