cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate

C18H28N4O4S2 — CID 140731626

IUPACcyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate
SMILESO=C(NC(=O)C1CCSC1NC(=O)C1NC2CNCCC2S1)OC1CCCC1
InChIInChI=1S/C18H28N4O4S2/c23-14(22-18(25)26-10-3-1-2-4-10)11-6-8-27-16(11)21-15(24)17-20-12-9-19-7-5-13(12)28-17/h10-13,16-17,19-20H,1-9H2,(H,21,24)(H,22,23,25)
InChIKeyPJVNZJXSOISDIO-UHFFFAOYSA-N
MW428.58 g/mol
LogP0.77
Rot. Bonds4

About cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate

cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate (PubChem CID 140731626) has the molecular formula C18H28N4O4S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate
PubChem CID140731626
Molecular FormulaC18H28N4O4S2
Molecular Weight428.58 g/mol
Exact Mass428.16
IUPAC Namecyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate
SMILESO=C(NC(=O)C1CCSC1NC(=O)C1NC2CNCCC2S1)OC1CCCC1
InChIInChI=1S/C18H28N4O4S2/c23-14(22-18(25)26-10-3-1-2-4-10)11-6-8-27-16(11)21-15(24)17-20-12-9-19-7-5-13(12)28-17/h10-13,16-17,19-20H,1-9H2,(H,21,24)(H,22,23,25)
InChIKeyPJVNZJXSOISDIO-UHFFFAOYSA-N
XLogP0.77
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate 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

2-methylpropyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzothiazole-2-carbonylamino)thiolane-3-carbonyl]carbamate
CID 140731594
ethyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)-5-fluorothiolane-3-carbonyl]carbamate
CID 140731534
2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethylamino)-N-piperidin-2-ylthiolane-3-carboxamide
CID 123999026
propan-2-yl N-[2-[(6-cyano-1,2,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]thiolane-3-carbonyl]carbamate
CID 123250513
ethyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123917363
propan-2-yl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123875242
(2-fluorocyclohexyl)methyl N-[2-(1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiolane-3-carbonyl]carbamate
CID 140731713
methyl N-[2-(1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiolane-3-carbonyl]carbamate
CID 140731564
N-[2-(thiomorpholine-4-carbonyl)cyclopentyl]-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzothiazole-2-carboxamide
CID 140731671
cycloheptyl pyrrolidine-3-carboxylate
CID 63033044
piperidin-4-yl N-cyclobutylcarbamate
CID 116658988
2-(2-ethoxyethoxy)ethyl N-[2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123249845

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate?
The IUPAC name of cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate (CID 140731626) is cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate.
What is the SMILES notation for cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate?
The canonical SMILES for cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate is O=C(NC(=O)C1CCSC1NC(=O)C1NC2CNCCC2S1)OC1CCCC1.
What is the InChIKey of cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate?
The InChIKey is PJVNZJXSOISDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S2/c23-14(22-18(25)26-10-3-1-2-4-10)11-6-8-27-16(11)21-15(24)17-20-12-9-19-7-5-13(12)28-17/h10-13,16-17,19-20H,1-9H2,(H,21,24)(H,22,23,25).
What are the key properties of cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate?
cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate has a molecular weight of 428.58 g/mol, XLogP of 0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate is sourced from PubChem (CID 140731626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).