tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate

C19H31N3O2S — CID 113248728

IUPACtert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCC1NCc1nccs1
InChIInChI=1S/C19H31N3O2S/c1-19(2,3)24-18(23)22-11-5-4-9-16(22)14-7-6-8-15(14)21-13-17-20-10-12-25-17/h10,12,14-16,21H,4-9,11,13H2,1-3H3
InChIKeyWWOANSFVGBEPKV-UHFFFAOYSA-N
MW365.54 g/mol
LogP4.19
Rot. Bonds4

About tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate

tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate (PubChem CID 113248728) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate
PubChem CID113248728
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Nametert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCC1NCc1nccs1
InChIInChI=1S/C19H31N3O2S/c1-19(2,3)24-18(23)22-11-5-4-9-16(22)14-7-6-8-15(14)21-13-17-20-10-12-25-17/h10,12,14-16,21H,4-9,11,13H2,1-3H3
InChIKeyWWOANSFVGBEPKV-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-methyl-3-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxylate
CID 104954266
tert-butyl 2-[2-(ethylamino)cyclopentyl]piperidine-1-carboxylate
CID 79537863
tert-butyl 2-[2-(ethylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724492
tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724497
tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724491
tert-butyl (2S)-2-[(1R,2R)-2-[(2-methoxy-3-pyridinyl)methylamino]cyclopentyl]pyrrolidine-1-carboxylate
CID 98848572
tert-butyl 2-[2-(2-methylprop-2-enylamino)cyclohexyl]pyrrolidine-1-carboxylate
CID 104940083
tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate
CID 113248734
tert-butyl 2-[2-(2,2,2-trifluoroethoxyamino)cyclopentyl]pyrrolidine-1-carboxylate
CID 113341796
tert-butyl (2R)-2-[3-(1,3-thiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 97173228
tert-butyl (2R)-2-[[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 86331293
tert-butyl 5-(1,3-thiazol-2-ylmethylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 126818908

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate (CID 113248728) is tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C1CCCC1NCc1nccs1.
What is the InChIKey of tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate?
The InChIKey is WWOANSFVGBEPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-19(2,3)24-18(23)22-11-5-4-9-16(22)14-7-6-8-15(14)21-13-17-20-10-12-25-17/h10,12,14-16,21H,4-9,11,13H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate has a molecular weight of 365.54 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate is sourced from PubChem (CID 113248728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).