[1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid

C19H26N4O2S — CID 68974284

IUPAC[1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid
SMILESNCCN1CCC(Cc2ccccc2)(NC(=O)O)C(Cc2cncs2)C1
InChIInChI=1S/C19H26N4O2S/c20-7-9-23-8-6-19(22-18(24)25,11-15-4-2-1-3-5-15)16(13-23)10-17-12-21-14-26-17/h1-5,12,14,16,22H,6-11,13,20H2,(H,24,25)
InChIKeyMJVFEODCVDLVJR-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.22
Rot. Bonds7

About [1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid

[1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid (PubChem CID 68974284) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is [1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid
PubChem CID68974284
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name[1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid
SMILESNCCN1CCC(Cc2ccccc2)(NC(=O)O)C(Cc2cncs2)C1
InChIInChI=1S/C19H26N4O2S/c20-7-9-23-8-6-19(22-18(24)25,11-15-4-2-1-3-5-15)16(13-23)10-17-12-21-14-26-17/h1-5,12,14,16,22H,6-11,13,20H2,(H,24,25)
InChIKeyMJVFEODCVDLVJR-UHFFFAOYSA-N
XLogP2.22
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

US9994546, Example 128
CID 118297909
[1-[[2-(2-Fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid
CID 66989316
[1-[[2-(2,6-Difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid
CID 66989418
2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 91218642
1-[2-Thiazol-5-yl-(2-methyl-2-phenylpropylaminoethyl)]-4-n-propylpiperazine
CID 129884043
1-[2-Thiazol-5-yl-(2-methyl-2-phenylbutylaminoethyl)]-4-n-propylpiperazine
CID 129884149
1-[2-Thiazol-5-yl-(2-phenylpentylmethylaminoethyl)]-4-n-propylpiperazine
CID 129884191
(3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
CID 154806356
1,3-thiazol-5-ylmethyl N-[1-(2-aminoethyl)-4-benzylpiperidin-4-yl]carbamate
CID 25095477
1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate
CID 25095733
[3-(2-Methyl-piperidin-1-yl)-propyl]-(5-phenyl-thiazol-2-ylmethyl)-amine
CID 59772997
[4-Benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-[2-(dibenzylamino)ethyl]carbamic acid
CID 68972213

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid (CID 68974284) is [1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid is NCCN1CCC(Cc2ccccc2)(NC(=O)O)C(Cc2cncs2)C1.
What is the InChIKey of [1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid?
The InChIKey is MJVFEODCVDLVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c20-7-9-23-8-6-19(22-18(24)25,11-15-4-2-1-3-5-15)16(13-23)10-17-12-21-14-26-17/h1-5,12,14,16,22H,6-11,13,20H2,(H,24,25).
What are the key properties of [1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid?
[1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid has a molecular weight of 374.51 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)-4-benzyl-3-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68974284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).