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

C11H21N3S — CID 43440180

IUPAC4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC2CCN(C)CC2)=N1
InChIInChI=1S/C11H21N3S/c1-3-9-8-15-11(12-9)13-10-4-6-14(2)7-5-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyKOMNZUAMYOVJSR-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.55
Rot. Bonds2

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

4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440180) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440180
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC2CCN(C)CC2)=N1
InChIInChI=1S/C11H21N3S/c1-3-9-8-15-11(12-9)13-10-4-6-14(2)7-5-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyKOMNZUAMYOVJSR-UHFFFAOYSA-N
XLogP1.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.55
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-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43440180) is 4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC2CCN(C)CC2)=N1.
What is the InChIKey of 4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KOMNZUAMYOVJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-9-8-15-11(12-9)13-10-4-6-14(2)7-5-10/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).