5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole

C18H22N6S2 — CID 120825893

IUPAC5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2ncc(CN3CCC(c4nnc5n4CCNC5)CC3)s2)c1
InChIInChI=1S/C18H22N6S2/c1-2-15(25-9-1)18-20-10-14(26-18)12-23-6-3-13(4-7-23)17-22-21-16-11-19-5-8-24(16)17/h1-2,9-10,13,19H,3-8,11-12H2
InChIKeyWRLWRYVDVHONKP-UHFFFAOYSA-N
MW386.55 g/mol
LogP2.95
Rot. Bonds4

About 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole

5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 120825893) has the molecular formula C18H22N6S2 and a molecular weight of 386.55 g/mol. Its IUPAC name is 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
PubChem CID120825893
Molecular FormulaC18H22N6S2
Molecular Weight386.55 g/mol
Exact Mass386.13
IUPAC Name5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2ncc(CN3CCC(c4nnc5n4CCNC5)CC3)s2)c1
InChIInChI=1S/C18H22N6S2/c1-2-15(25-9-1)18-20-10-14(26-18)12-23-6-3-13(4-7-23)17-22-21-16-11-19-5-8-24(16)17/h1-2,9-10,13,19H,3-8,11-12H2
InChIKeyWRLWRYVDVHONKP-UHFFFAOYSA-N
XLogP2.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole with MolForge

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Related Compounds

2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 120825995
2-cyclopentyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120825896
3-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826361
3-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826231
3-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120847215
3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120847238
4-cyclopropyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120847310
3-[1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826393
3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826038
2-(4-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120825956
3-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826052
3-[1-[(4-chloro-2,6-dimethylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826041

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole (CID 120825893) is 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole is c1csc(-c2ncc(CN3CCC(c4nnc5n4CCNC5)CC3)s2)c1.
What is the InChIKey of 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is WRLWRYVDVHONKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S2/c1-2-15(25-9-1)18-20-10-14(26-18)12-23-6-3-13(4-7-23)17-22-21-16-11-19-5-8-24(16)17/h1-2,9-10,13,19H,3-8,11-12H2.
What are the key properties of 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 386.55 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 120825893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).