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

C19H29ClN6S — CID 120825896

IUPAC2-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
SMILESCl.c1nc(C2CCCC2)sc1CN1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C19H28N6S.ClH/c1-2-4-15(3-1)19-21-11-16(26-19)13-24-8-5-14(6-9-24)18-23-22-17-12-20-7-10-25(17)18;/h11,14-15,20H,1-10,12-13H2;1H
InChIKeyFDODPHVFFLCKRF-UHFFFAOYSA-N
MW409.00 g/mol
LogP3.30
Rot. Bonds4

About 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

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 (PubChem CID 120825896) has the molecular formula C19H29ClN6S and a molecular weight of 409.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID120825896
Molecular FormulaC19H29ClN6S
Molecular Weight409.00 g/mol
Exact Mass408.19
IUPAC Name2-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
SMILESCl.c1nc(C2CCCC2)sc1CN1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C19H28N6S.ClH/c1-2-4-15(3-1)19-21-11-16(26-19)13-24-8-5-14(6-9-24)18-23-22-17-12-20-7-10-25(17)18;/h11,14-15,20H,1-10,12-13H2;1H
InChIKeyFDODPHVFFLCKRF-UHFFFAOYSA-N
XLogP3.30
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.00
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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

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
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
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
3-cyclooctyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65020958
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-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
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
2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967862
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-[(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-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826182

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cl.c1nc(C2CCCC2)sc1CN1CCC(c2nnc3n2CCNC3)CC1.
What is the InChIKey of 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?
The InChIKey is FDODPHVFFLCKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6S.ClH/c1-2-4-15(3-1)19-21-11-16(26-19)13-24-8-5-14(6-9-24)18-23-22-17-12-20-7-10-25(17)18;/h11,14-15,20H,1-10,12-13H2;1H.
What are the key properties of 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?
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 has a molecular weight of 409.00 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 120825896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).