4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole

C14H20N6S — CID 102793742

IUPAC4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
SMILESc1nc(-c2nc(N3CCC(C4CCCN4)CC3)n[nH]2)cs1
InChIInChI=1S/C14H20N6S/c1-2-11(15-5-1)10-3-6-20(7-4-10)14-17-13(18-19-14)12-8-21-9-16-12/h8-11,15H,1-7H2,(H,17,18,19)
InChIKeyUWTWHFMSISLBEJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.90
Rot. Bonds3

About 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole

4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole (PubChem CID 102793742) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
PubChem CID102793742
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
SMILESc1nc(-c2nc(N3CCC(C4CCCN4)CC3)n[nH]2)cs1
InChIInChI=1S/C14H20N6S/c1-2-11(15-5-1)10-3-6-20(7-4-10)14-17-13(18-19-14)12-8-21-9-16-12/h8-11,15H,1-7H2,(H,17,18,19)
InChIKeyUWTWHFMSISLBEJ-UHFFFAOYSA-N
XLogP1.90
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole with MolForge

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Related Compounds

2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 55167443
1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine
CID 102793786
[4-methyl-1-[5-(1,3-thiazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800824
3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204667
2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
CID 63257412
6-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102793699
6-(5-phenyl-1H-1,2,4-triazol-3-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102793630
3-chloro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257582
7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine
CID 102686848
6-[5-(5-methyl-1H-pyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102793653
4-methyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257496
3-methyl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257237

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole?
The IUPAC name of 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole (CID 102793742) is 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole?
The canonical SMILES for 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole is c1nc(-c2nc(N3CCC(C4CCCN4)CC3)n[nH]2)cs1.
What is the InChIKey of 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole?
The InChIKey is UWTWHFMSISLBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-2-11(15-5-1)10-3-6-20(7-4-10)14-17-13(18-19-14)12-8-21-9-16-12/h8-11,15H,1-7H2,(H,17,18,19).
What are the key properties of 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole?
4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 102793742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).