N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine

C9H14N2OS — CID 80584339

IUPACN-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine
SMILESc1ncc(CNCC2CCCS2)o1
InChIInChI=1S/C9H14N2OS/c1-2-9(13-3-1)6-10-4-8-5-11-7-12-8/h5,7,9-10H,1-4,6H2
InChIKeyPAAXDKOKLWYESB-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.66
Rot. Bonds4

About N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine

N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine (PubChem CID 80584339) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine
PubChem CID80584339
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine
SMILESc1ncc(CNCC2CCCS2)o1
InChIInChI=1S/C9H14N2OS/c1-2-9(13-3-1)6-10-4-8-5-11-7-12-8/h5,7,9-10H,1-4,6H2
InChIKeyPAAXDKOKLWYESB-UHFFFAOYSA-N
XLogP1.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.66
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)-1-(thiolan-2-yl)methanamine?
The IUPAC name of N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine (CID 80584339) is N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine.
What is the SMILES notation for N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine?
The canonical SMILES for N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine is c1ncc(CNCC2CCCS2)o1.
What is the InChIKey of N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine?
The InChIKey is PAAXDKOKLWYESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-9(13-3-1)6-10-4-8-5-11-7-12-8/h5,7,9-10H,1-4,6H2.
What are the key properties of N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine?
N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.66, 4 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)-1-(thiolan-2-yl)methanamine is sourced from PubChem (CID 80584339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).