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

C14H21N3O4S — CID 718833

IUPACethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(NC(=O)OC)s2)CC1
InChIInChI=1S/C14H21N3O4S/c1-3-21-12(18)10-4-6-17(7-5-10)9-11-8-15-13(22-11)16-14(19)20-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,19)
InChIKeyXSANVUJIBYURIF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.10
Rot. Bonds5

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

ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 718833) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID718833
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Nameethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(NC(=O)OC)s2)CC1
InChIInChI=1S/C14H21N3O4S/c1-3-21-12(18)10-4-6-17(7-5-10)9-11-8-15-13(22-11)16-14(19)20-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,19)
InChIKeyXSANVUJIBYURIF-UHFFFAOYSA-N
XLogP2.10
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (CID 718833) is ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cnc(NC(=O)OC)s2)CC1.
What is the InChIKey of ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is XSANVUJIBYURIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-3-21-12(18)10-4-6-17(7-5-10)9-11-8-15-13(22-11)16-14(19)20-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,19).
What are the key properties of ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 327.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 718833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).