tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate

C21H28N2O2S — CID 163908479

IUPACtert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CC[C@@H](c2nc(Cc3ccccc3)cs2)C1
InChIInChI=1S/C21H28N2O2S/c1-21(2,3)25-20(24)22-13-16-9-10-17(11-16)19-23-18(14-26-19)12-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3,(H,22,24)/t16-,17+/m0/s1
InChIKeyQQAQSFMDUQOGJR-DLBZAZTESA-N
MW372.53 g/mol
LogP5.14
Rot. Bonds5

About tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate

tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate (PubChem CID 163908479) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate
PubChem CID163908479
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Nametert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CC[C@@H](c2nc(Cc3ccccc3)cs2)C1
InChIInChI=1S/C21H28N2O2S/c1-21(2,3)25-20(24)22-13-16-9-10-17(11-16)19-23-18(14-26-19)12-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3,(H,22,24)/t16-,17+/m0/s1
InChIKeyQQAQSFMDUQOGJR-DLBZAZTESA-N
XLogP5.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]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

benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
CID 20729715
benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate
CID 23577315
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate
CID 59464204
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[[4-[[[2-[4-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate
CID 56679719
tert-butyl N-[[4-(4-naphthalen-2-ylpyrimidin-2-yl)cyclohexyl]methyl]carbamate
CID 157204723
tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
CID 68846239
tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate
CID 59898570
4-O-benzyl 1-O-methyl (2R)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]butanedioate
CID 58351846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate (CID 163908479) is tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](c2nc(Cc3ccccc3)cs2)C1.
What is the InChIKey of tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate?
The InChIKey is QQAQSFMDUQOGJR-DLBZAZTESA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-21(2,3)25-20(24)22-13-16-9-10-17(11-16)19-23-18(14-26-19)12-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3,(H,22,24)/t16-,17+/m0/s1.
What are the key properties of tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate?
tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate has a molecular weight of 372.53 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 163908479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).