[2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate

C20H24ClN3O4S — CID 173069372

IUPAC[2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)N(C(=O)Oc1c(Cl)cccc1C=C1SC(=O)NC1=O)C1CCCNC1
InChIInChI=1S/C20H24ClN3O4S/c1-20(2,3)24(13-7-5-9-22-11-13)19(27)28-16-12(6-4-8-14(16)21)10-15-17(25)23-18(26)29-15/h4,6,8,10,13,22H,5,7,9,11H2,1-3H3,(H,23,25,26)
InChIKeyUFHRMIHVYIEUFQ-UHFFFAOYSA-N
MW437.95 g/mol
LogP4.02
Rot. Bonds3

About [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate

[2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate (PubChem CID 173069372) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Name[2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate
PubChem CID173069372
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name[2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)N(C(=O)Oc1c(Cl)cccc1C=C1SC(=O)NC1=O)C1CCCNC1
InChIInChI=1S/C20H24ClN3O4S/c1-20(2,3)24(13-7-5-9-22-11-13)19(27)28-16-12(6-4-8-14(16)21)10-15-17(25)23-18(26)29-15/h4,6,8,10,13,22H,5,7,9,11H2,1-3H3,(H,23,25,26)
InChIKeyUFHRMIHVYIEUFQ-UHFFFAOYSA-N
XLogP4.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate
CID 140758794
(2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175124712
(3-nitro-4-pyridinyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175123042
(5Z)-5-[[2-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 53250648
5-[(3-chloro-2-piperazin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 76782327
tert-butyl N-[1-[2-chloro-6-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-hydroxypiperidin-3-yl]carbamate
CID 140567657
(4-methoxy-2-nitrophenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175119074
N-[(3S)-1-[2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]pyrrolidin-3-yl]-2-(dimethylamino)acetamide
CID 123313798
[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
CID 175137543
[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] cyclobutanecarboxylate
CID 137405363
[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] cyclobutanecarboxylate
CID 146026444
(5Z)-5-[[3-chloro-2-[(3R)-3-[2-(methylamino)ethylamino]piperidin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 44609481

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
The IUPAC name of [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate (CID 173069372) is [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate.
What is the SMILES notation for [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
The canonical SMILES for [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate is CC(C)(C)N(C(=O)Oc1c(Cl)cccc1C=C1SC(=O)NC1=O)C1CCCNC1.
What is the InChIKey of [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
The InChIKey is UFHRMIHVYIEUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-20(2,3)24(13-7-5-9-22-11-13)19(27)28-16-12(6-4-8-14(16)21)10-15-17(25)23-18(26)29-15/h4,6,8,10,13,22H,5,7,9,11H2,1-3H3,(H,23,25,26).
What are the key properties of [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
[2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate has a molecular weight of 437.95 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] N-tert-butyl-N-piperidin-3-ylcarbamate is sourced from PubChem (CID 173069372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).