N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

C8H14N2OS — CID 43148985

IUPACN-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1COC(CNC2=NCCS2)C1
InChIInChI=1S/C8H14N2OS/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h7H,1-6H2,(H,9,10)
InChIKeyXCKFFMPODKCGOR-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.86
Rot. Bonds2

About N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43148985) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43148985
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1COC(CNC2=NCCS2)C1
InChIInChI=1S/C8H14N2OS/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h7H,1-6H2,(H,9,10)
InChIKeyXCKFFMPODKCGOR-UHFFFAOYSA-N
XLogP0.86
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43148985) is N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1COC(CNC2=NCCS2)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XCKFFMPODKCGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h7H,1-6H2,(H,9,10).
What are the key properties of N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43148985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).