[1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate

C18H24N6O2S — CID 121190658

IUPAC[1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
SMILESO=C(OC1CCN(c2nccs2)CC1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C18H24N6O2S/c25-18(26-15-4-8-22(9-5-15)17-19-6-10-27-17)23-7-3-14(11-23)24-12-16(20-21-24)13-1-2-13/h6,10,12-15H,1-5,7-9,11H2
InChIKeyRHCBSEQZIUBLDE-UHFFFAOYSA-N
MW388.50 g/mol
LogP2.66
Rot. Bonds4

About [1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate

[1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate (PubChem CID 121190658) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is [1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
PubChem CID121190658
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name[1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
SMILESO=C(OC1CCN(c2nccs2)CC1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C18H24N6O2S/c25-18(26-15-4-8-22(9-5-15)17-19-6-10-27-17)23-7-3-14(11-23)24-12-16(20-21-24)13-1-2-13/h6,10,12-15H,1-5,7-9,11H2
InChIKeyRHCBSEQZIUBLDE-UHFFFAOYSA-N
XLogP2.66
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of [1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate (CID 121190658) is [1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for [1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for [1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate is O=C(OC1CCN(c2nccs2)CC1)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of [1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is RHCBSEQZIUBLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c25-18(26-15-4-8-22(9-5-15)17-19-6-10-27-17)23-7-3-14(11-23)24-12-16(20-21-24)13-1-2-13/h6,10,12-15H,1-5,7-9,11H2.
What are the key properties of [1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate?
[1-(1,3-thiazol-2-yl)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 388.50 g/mol, XLogP of 2.66, 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)piperidin-4-yl] 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 121190658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).