ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate

C17H22N4O2S — CID 84593468

IUPACethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(Cc2cnc(-c3cccnc3)s2)C1
InChIInChI=1S/C17H22N4O2S/c1-2-23-17(22)20-14-6-4-8-21(11-14)12-15-10-19-16(24-15)13-5-3-7-18-9-13/h3,5,7,9-10,14H,2,4,6,8,11-12H2,1H3,(H,20,22)
InChIKeyHSFNFFMEVPEHIF-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.92
Rot. Bonds5

About ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate

ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate (PubChem CID 84593468) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate
PubChem CID84593468
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Nameethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(Cc2cnc(-c3cccnc3)s2)C1
InChIInChI=1S/C17H22N4O2S/c1-2-23-17(22)20-14-6-4-8-21(11-14)12-15-10-19-16(24-15)13-5-3-7-18-9-13/h3,5,7,9-10,14H,2,4,6,8,11-12H2,1H3,(H,20,22)
InChIKeyHSFNFFMEVPEHIF-UHFFFAOYSA-N
XLogP2.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate (CID 84593468) is ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(Cc2cnc(-c3cccnc3)s2)C1.
What is the InChIKey of ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate?
The InChIKey is HSFNFFMEVPEHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-2-23-17(22)20-14-6-4-8-21(11-14)12-15-10-19-16(24-15)13-5-3-7-18-9-13/h3,5,7,9-10,14H,2,4,6,8,11-12H2,1H3,(H,20,22).
What are the key properties of ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate?
ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate has a molecular weight of 346.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 84593468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).