4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol

C13H20N6OS — CID 138008394

IUPAC4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
SMILESCC(C)c1nsc(N2CCC(O)(c3ncnn3C)CC2)n1
InChIInChI=1S/C13H20N6OS/c1-9(2)10-16-12(21-17-10)19-6-4-13(20,5-7-19)11-14-8-15-18(11)3/h8-9,20H,4-7H2,1-3H3
InChIKeyLJKGYIDXCOLRME-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.28
Rot. Bonds3

About 4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol

4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol (PubChem CID 138008394) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
PubChem CID138008394
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
SMILESCC(C)c1nsc(N2CCC(O)(c3ncnn3C)CC2)n1
InChIInChI=1S/C13H20N6OS/c1-9(2)10-16-12(21-17-10)19-6-4-13(20,5-7-19)11-14-8-15-18(11)3/h8-9,20H,4-7H2,1-3H3
InChIKeyLJKGYIDXCOLRME-UHFFFAOYSA-N
XLogP1.28
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(methoxymethyl)-5-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164632707
1-[(2S)-2-methylbutyl]-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 164635226
4-(2-Methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 138008386
1-Methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-ol
CID 65602894
1-Methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol
CID 65611521
3-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-ol
CID 65611523
1-Methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-ol
CID 65611524
3-Ethyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 75472979
3-Propan-2-yl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 75499077
3-(2-Methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 84597179
1-Ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 112744378
3-(Methoxymethyl)-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 127741590

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol (CID 138008394) is 4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol.
What is the SMILES notation for 4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The canonical SMILES for 4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol is CC(C)c1nsc(N2CCC(O)(c3ncnn3C)CC2)n1.
What is the InChIKey of 4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The InChIKey is LJKGYIDXCOLRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-9(2)10-16-12(21-17-10)19-6-4-13(20,5-7-19)11-14-8-15-18(11)3/h8-9,20H,4-7H2,1-3H3.
What are the key properties of 4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol has a molecular weight of 308.41 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol is sourced from PubChem (CID 138008394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).