N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine

C8H12N2OS — CID 103062703

IUPACN-(1,3-oxazol-5-ylmethyl)thiolan-3-amine
SMILESc1ncc(CNC2CCSC2)o1
InChIInChI=1S/C8H12N2OS/c1-2-12-5-7(1)10-4-8-3-9-6-11-8/h3,6-7,10H,1-2,4-5H2
InChIKeyREXKVIXIFWHWCZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.27
Rot. Bonds3

About N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine

N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine (PubChem CID 103062703) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(1,3-oxazol-5-ylmethyl)thiolan-3-amine
PubChem CID103062703
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-(1,3-oxazol-5-ylmethyl)thiolan-3-amine
SMILESc1ncc(CNC2CCSC2)o1
InChIInChI=1S/C8H12N2OS/c1-2-12-5-7(1)10-4-8-3-9-6-11-8/h3,6-7,10H,1-2,4-5H2
InChIKeyREXKVIXIFWHWCZ-UHFFFAOYSA-N
XLogP1.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine?
The IUPAC name of N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine (CID 103062703) is N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine is c1ncc(CNC2CCSC2)o1.
What is the InChIKey of N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine?
The InChIKey is REXKVIXIFWHWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-12-5-7(1)10-4-8-3-9-6-11-8/h3,6-7,10H,1-2,4-5H2.
What are the key properties of N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine?
N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine has a molecular weight of 184.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 103062703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).