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

C11H20N2OS — CID 43534262

IUPAC4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)C2CCCO2)=N1
InChIInChI=1S/C11H20N2OS/c1-3-9-7-15-11(13-9)12-8(2)10-5-4-6-14-10/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyKFFNFSMYIQSLSZ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.02
Rot. Bonds3

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

4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43534262) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43534262
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)C2CCCO2)=N1
InChIInChI=1S/C11H20N2OS/c1-3-9-7-15-11(13-9)12-8(2)10-5-4-6-14-10/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyKFFNFSMYIQSLSZ-UHFFFAOYSA-N
XLogP2.02
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 43534262) is 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC(C)C2CCCO2)=N1.
What is the InChIKey of 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KFFNFSMYIQSLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-9-7-15-11(13-9)12-8(2)10-5-4-6-14-10/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43534262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).