[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate

C16H20N6O2S — CID 121190187

IUPAC[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate
SMILESO=C(OC1CCN(c2nccs2)C1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C16H20N6O2S/c23-16(24-13-3-5-20(9-13)15-17-4-6-25-15)21-7-12(8-21)22-10-14(18-19-22)11-1-2-11/h4,6,10-13H,1-3,5,7-9H2
InChIKeyUATHTQVOWFYYNW-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.88
Rot. Bonds4

About [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate

[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate (PubChem CID 121190187) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Name[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate
PubChem CID121190187
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate
SMILESO=C(OC1CCN(c2nccs2)C1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C16H20N6O2S/c23-16(24-13-3-5-20(9-13)15-17-4-6-25-15)21-7-12(8-21)22-10-14(18-19-22)11-1-2-11/h4,6,10-13H,1-3,5,7-9H2
InChIKeyUATHTQVOWFYYNW-UHFFFAOYSA-N
XLogP1.88
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate 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

[1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 121190658
[1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522599
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 121190225
[(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 129356653
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone
CID 121190680
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 121189855
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121190090
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589
cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 121190670
1,3-benzothiazol-6-yl-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 119103974

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate?
The IUPAC name of [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate (CID 121190187) is [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate.
What is the SMILES notation for [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate?
The canonical SMILES for [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate is O=C(OC1CCN(c2nccs2)C1)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate?
The InChIKey is UATHTQVOWFYYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c23-16(24-13-3-5-20(9-13)15-17-4-6-25-15)21-7-12(8-21)22-10-14(18-19-22)11-1-2-11/h4,6,10-13H,1-3,5,7-9H2.
What are the key properties of [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate?
[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate has a molecular weight of 360.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] 3-(4-cyclopropyltriazol-1-yl)azetidine-1-carboxylate is sourced from PubChem (CID 121190187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).