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

C12H24N2S — CID 65038636

IUPAC4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(CC)(CC)CC)=N1
InChIInChI=1S/C12H24N2S/c1-5-10-9-15-11(13-10)14-12(6-2,7-3)8-4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyDKOOSQLVEKAIFQ-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.43
Rot. Bonds5

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

4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 65038636) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID65038636
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(CC)(CC)CC)=N1
InChIInChI=1S/C12H24N2S/c1-5-10-9-15-11(13-10)14-12(6-2,7-3)8-4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyDKOOSQLVEKAIFQ-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 65038636) is 4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC(CC)(CC)CC)=N1.
What is the InChIKey of 4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DKOOSQLVEKAIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-5-10-9-15-11(13-10)14-12(6-2,7-3)8-4/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 65038636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).