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

C16H24N6S — CID 128843008

IUPAC5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole
SMILESCC(C)c1cnc(N2CCC(c3nnc4n3CCNC4)CC2)s1
InChIInChI=1S/C16H24N6S/c1-11(2)13-9-18-16(23-13)21-6-3-12(4-7-21)15-20-19-14-10-17-5-8-22(14)15/h9,11-12,17H,3-8,10H2,1-2H3
InChIKeyAOXQFXNVWKARPF-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.35
Rot. Bonds3

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

5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole (PubChem CID 128843008) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is 5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole
PubChem CID128843008
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Name5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole
SMILESCC(C)c1cnc(N2CCC(c3nnc4n3CCNC4)CC2)s1
InChIInChI=1S/C16H24N6S/c1-11(2)13-9-18-16(23-13)21-6-3-12(4-7-21)15-20-19-14-10-17-5-8-22(14)15/h9,11-12,17H,3-8,10H2,1-2H3
InChIKeyAOXQFXNVWKARPF-UHFFFAOYSA-N
XLogP2.35
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N,N-diethyl-5-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)methyl]-1,3-thiazol-2-amine
CID 53575283
N,N-diethyl-5-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]-1,3-thiazol-2-amine
CID 56780959
N,N-diethyl-5-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]-1,3-thiazol-2-amine
CID 72141239
N,N-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]-1,3-thiazol-2-amine
CID 72147655
5-[(4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 72926992
5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 134788124
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 97846839
1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanamine
CID 64579478
2-[[4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120847220
2-[[4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-thiazole
CID 120847221
5-[[4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120847288
5-[[4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120847289

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole (CID 128843008) is 5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole is CC(C)c1cnc(N2CCC(c3nnc4n3CCNC4)CC2)s1.
What is the InChIKey of 5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is AOXQFXNVWKARPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6S/c1-11(2)13-9-18-16(23-13)21-6-3-12(4-7-21)15-20-19-14-10-17-5-8-22(14)15/h9,11-12,17H,3-8,10H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole?
5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 332.48 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 128843008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).