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

C9H14N2OS — CID 96759866

IUPAC[4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine
SMILESNCC1(c2nccs2)CCOCC1
InChIInChI=1S/C9H14N2OS/c10-7-9(1-4-12-5-2-9)8-11-3-6-13-8/h3,6H,1-2,4-5,7,10H2
InChIKeyPGRJLOYUYAMSEU-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.15
Rot. Bonds2

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

[4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine (PubChem CID 96759866) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine
PubChem CID96759866
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name[4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine
SMILESNCC1(c2nccs2)CCOCC1
InChIInChI=1S/C9H14N2OS/c10-7-9(1-4-12-5-2-9)8-11-3-6-13-8/h3,6H,1-2,4-5,7,10H2
InChIKeyPGRJLOYUYAMSEU-UHFFFAOYSA-N
XLogP1.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine (CID 96759866) is [4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine is NCC1(c2nccs2)CCOCC1.
What is the InChIKey of [4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine?
The InChIKey is PGRJLOYUYAMSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-7-9(1-4-12-5-2-9)8-11-3-6-13-8/h3,6H,1-2,4-5,7,10H2.
What are the key properties of [4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine?
[4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 96759866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).