1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate

C19H26N4O2S — CID 25095477

IUPAC1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate
SMILESNCCN1CCC(Cc2ccccc2)(NC(=O)OCc2cncs2)CC1
InChIInChI=1S/C19H26N4O2S/c20-8-11-23-9-6-19(7-10-23,12-16-4-2-1-3-5-16)22-18(24)25-14-17-13-21-15-26-17/h1-5,13,15H,6-12,14,20H2,(H,22,24)
InChIKeyZVAFHSAJTSLSSC-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.41
Rot. Bonds7

About 1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate

1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate (PubChem CID 25095477) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate
PubChem CID25095477
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate
SMILESNCCN1CCC(Cc2ccccc2)(NC(=O)OCc2cncs2)CC1
InChIInChI=1S/C19H26N4O2S/c20-8-11-23-9-6-19(7-10-23,12-16-4-2-1-3-5-16)22-18(24)25-14-17-13-21-15-26-17/h1-5,13,15H,6-12,14,20H2,(H,22,24)
InChIKeyZVAFHSAJTSLSSC-UHFFFAOYSA-N
XLogP2.41
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate (CID 25095477) is 1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate is NCCN1CCC(Cc2ccccc2)(NC(=O)OCc2cncs2)CC1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate?
The InChIKey is ZVAFHSAJTSLSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c20-8-11-23-9-6-19(7-10-23,12-16-4-2-1-3-5-16)22-18(24)25-14-17-13-21-15-26-17/h1-5,13,15H,6-12,14,20H2,(H,22,24).
What are the key properties of 1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate?
1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate has a molecular weight of 374.51 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate is sourced from PubChem (CID 25095477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).