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

C13H25N3S — CID 54965405

IUPAC4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)CN2CCCCC2)=N1
InChIInChI=1S/C13H25N3S/c1-3-12-10-17-13(15-12)14-11(2)9-16-7-5-4-6-8-16/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyXFEKWZVCGAIXDA-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.33
Rot. Bonds4

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

4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54965405) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54965405
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)CN2CCCCC2)=N1
InChIInChI=1S/C13H25N3S/c1-3-12-10-17-13(15-12)14-11(2)9-16-7-5-4-6-8-16/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyXFEKWZVCGAIXDA-UHFFFAOYSA-N
XLogP2.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.33
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-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 54965405) is 4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC(C)CN2CCCCC2)=N1.
What is the InChIKey of 4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XFEKWZVCGAIXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-3-12-10-17-13(15-12)14-11(2)9-16-7-5-4-6-8-16/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.33, 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-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54965405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).