ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

C15H25N3O2S — CID 79760633

IUPACethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCCNc1ncc(CN2CCC(C(=O)OCC)CC2)s1
InChIInChI=1S/C15H25N3O2S/c1-3-7-16-15-17-10-13(21-15)11-18-8-5-12(6-9-18)14(19)20-4-2/h10,12H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyDOLISIQQIPIAGY-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.74
Rot. Bonds7

About ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 79760633) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID79760633
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCCNc1ncc(CN2CCC(C(=O)OCC)CC2)s1
InChIInChI=1S/C15H25N3O2S/c1-3-7-16-15-17-10-13(21-15)11-18-8-5-12(6-9-18)14(19)20-4-2/h10,12H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyDOLISIQQIPIAGY-UHFFFAOYSA-N
XLogP2.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (CID 79760633) is ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is CCCNc1ncc(CN2CCC(C(=O)OCC)CC2)s1.
What is the InChIKey of ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is DOLISIQQIPIAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-7-16-15-17-10-13(21-15)11-18-8-5-12(6-9-18)14(19)20-4-2/h10,12H,3-9,11H2,1-2H3,(H,16,17).
What are the key properties of ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 79760633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).