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

C14H23N3O2S — CID 79772286

IUPACmethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCCNc1ncc(CN2CCC(C(=O)OC)CC2)s1
InChIInChI=1S/C14H23N3O2S/c1-3-6-15-14-16-9-12(20-14)10-17-7-4-11(5-8-17)13(18)19-2/h9,11H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyLGIWJRDEGWWTNL-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.35
Rot. Bonds6

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

methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 79772286) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID79772286
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Namemethyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCCNc1ncc(CN2CCC(C(=O)OC)CC2)s1
InChIInChI=1S/C14H23N3O2S/c1-3-6-15-14-16-9-12(20-14)10-17-7-4-11(5-8-17)13(18)19-2/h9,11H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyLGIWJRDEGWWTNL-UHFFFAOYSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (CID 79772286) is methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is CCCNc1ncc(CN2CCC(C(=O)OC)CC2)s1.
What is the InChIKey of methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is LGIWJRDEGWWTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-6-15-14-16-9-12(20-14)10-17-7-4-11(5-8-17)13(18)19-2/h9,11H,3-8,10H2,1-2H3,(H,15,16).
What are the key properties of methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 79772286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).