N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C9H16N2OS — CID 43534264

IUPACN-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NCCS1)C1CCCO1
InChIInChI=1S/C9H16N2OS/c1-7(8-3-2-5-12-8)11-9-10-4-6-13-9/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyOEYWDEJRXGHIFE-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.25
Rot. Bonds2

About N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43534264) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43534264
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NCCS1)C1CCCO1
InChIInChI=1S/C9H16N2OS/c1-7(8-3-2-5-12-8)11-9-10-4-6-13-9/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyOEYWDEJRXGHIFE-UHFFFAOYSA-N
XLogP1.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 43534264) is N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(NC1=NCCS1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OEYWDEJRXGHIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(8-3-2-5-12-8)11-9-10-4-6-13-9/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43534264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).