4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

C9H18N2OS — CID 43439708

IUPAC4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)COC)=N1
InChIInChI=1S/C9H18N2OS/c1-4-8-6-13-9(11-8)10-7(2)5-12-3/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyPCCLIWICXFCXLX-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.49
Rot. Bonds4

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

4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439708) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439708
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)COC)=N1
InChIInChI=1S/C9H18N2OS/c1-4-8-6-13-9(11-8)10-7(2)5-12-3/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyPCCLIWICXFCXLX-UHFFFAOYSA-N
XLogP1.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.49
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-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43439708) is 4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC(C)COC)=N1.
What is the InChIKey of 4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PCCLIWICXFCXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-4-8-6-13-9(11-8)10-7(2)5-12-3/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 202.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).