ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate

C19H26N4O3S2 — CID 78885919

IUPACethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)NCCc2ccc(-c3csc(C)n3)s2)C1
InChIInChI=1S/C19H26N4O3S2/c1-3-26-19(25)22-14-5-4-10-23(11-14)18(24)20-9-8-15-6-7-17(28-15)16-12-27-13(2)21-16/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyHJKQDEXFQRRYJM-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.64
Rot. Bonds6

About ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate (PubChem CID 78885919) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate
PubChem CID78885919
Molecular FormulaC19H26N4O3S2
Molecular Weight422.58 g/mol
Exact Mass422.14
IUPAC Nameethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)NCCc2ccc(-c3csc(C)n3)s2)C1
InChIInChI=1S/C19H26N4O3S2/c1-3-26-19(25)22-14-5-4-10-23(11-14)18(24)20-9-8-15-6-7-17(28-15)16-12-27-13(2)21-16/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyHJKQDEXFQRRYJM-UHFFFAOYSA-N
XLogP3.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate (CID 78885919) is ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)NCCc2ccc(-c3csc(C)n3)s2)C1.
What is the InChIKey of ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate?
The InChIKey is HJKQDEXFQRRYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-3-26-19(25)22-14-5-4-10-23(11-14)18(24)20-9-8-15-6-7-17(28-15)16-12-27-13(2)21-16/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,20,24)(H,22,25).
What are the key properties of ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate has a molecular weight of 422.58 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylcarbamoyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 78885919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).