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

C13H17ClF2N6S — CID 67452288

IUPAC2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
SMILESCl.FC1(F)CCN(c2nc(-c3nnc4n3CCNC4)cs2)CC1
InChIInChI=1S/C13H16F2N6S.ClH/c14-13(15)1-4-20(5-2-13)12-17-9(8-22-12)11-19-18-10-7-16-3-6-21(10)11;/h8,16H,1-7H2;1H
InChIKeyIGOMPRVEXJUYNB-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.16
Rot. Bonds2

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

2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride (PubChem CID 67452288) has the molecular formula C13H17ClF2N6S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
PubChem CID67452288
Molecular FormulaC13H17ClF2N6S
Molecular Weight362.84 g/mol
Exact Mass362.09
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
SMILESCl.FC1(F)CCN(c2nc(-c3nnc4n3CCNC4)cs2)CC1
InChIInChI=1S/C13H16F2N6S.ClH/c14-13(15)1-4-20(5-2-13)12-17-9(8-22-12)11-19-18-10-7-16-3-6-21(10)11;/h8,16H,1-7H2;1H
InChIKeyIGOMPRVEXJUYNB-UHFFFAOYSA-N
XLogP2.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(4,4-Difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
CID 67452289
4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)thiazole hydrochloride
CID 89488476
4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 89488477
2-(5-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 140912410
4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-amine
CID 64576502
[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 64577896
N-methyl-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]methanamine
CID 64578315
[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]methanamine
CID 64578316
1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]ethanamine
CID 64579283
1-(2-ethyl-1,3-thiazol-4-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71929248
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 86801847
1-(2-ethyl-1,3-thiazol-4-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 96997107

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride (CID 67452288) is 2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride is Cl.FC1(F)CCN(c2nc(-c3nnc4n3CCNC4)cs2)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
The InChIKey is IGOMPRVEXJUYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N6S.ClH/c14-13(15)1-4-20(5-2-13)12-17-9(8-22-12)11-19-18-10-7-16-3-6-21(10)11;/h8,16H,1-7H2;1H.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride has a molecular weight of 362.84 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 67452288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).