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

C8H12N2OS — CID 64982766

IUPAC[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(C2CCCO2)n1
InChIInChI=1S/C8H12N2OS/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h5,7H,1-4,9H2
InChIKeyUDBUKGAORSAOKC-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.45
Rot. Bonds2

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

[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 64982766) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is [2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID64982766
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(C2CCCO2)n1
InChIInChI=1S/C8H12N2OS/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h5,7H,1-4,9H2
InChIKeyUDBUKGAORSAOKC-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine (CID 64982766) is [2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine is NCc1csc(C2CCCO2)n1.
What is the InChIKey of [2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is UDBUKGAORSAOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h5,7H,1-4,9H2.
What are the key properties of [2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine?
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 184.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 64982766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).