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

C10H20N2OS — CID 64605918

IUPAC4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)CCOC)=N1
InChIInChI=1S/C10H20N2OS/c1-4-9-7-14-10(12-9)11-8(2)5-6-13-3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyGLNOFAJLIJFCSO-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.88
Rot. Bonds5

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

4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 64605918) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID64605918
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)CCOC)=N1
InChIInChI=1S/C10H20N2OS/c1-4-9-7-14-10(12-9)11-8(2)5-6-13-3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyGLNOFAJLIJFCSO-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 64605918) is 4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC(C)CCOC)=N1.
What is the InChIKey of 4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GLNOFAJLIJFCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-4-9-7-14-10(12-9)11-8(2)5-6-13-3/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 216.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 64605918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).