2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

C15H22N6S — CID 133448620

IUPAC2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCC(c3nncn3C3CC3)CC2)s1
InChIInChI=1S/C15H22N6S/c1-10(2)14-18-19-15(22-14)20-7-5-11(6-8-20)13-17-16-9-21(13)12-3-4-12/h9-12H,3-8H2,1-2H3
InChIKeyRSEJZHNUPOSJET-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.97
Rot. Bonds4

About 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 133448620) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID133448620
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC Name2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCC(c3nncn3C3CC3)CC2)s1
InChIInChI=1S/C15H22N6S/c1-10(2)14-18-19-15(22-14)20-7-5-11(6-8-20)13-17-16-9-21(13)12-3-4-12/h9-12H,3-8H2,1-2H3
InChIKeyRSEJZHNUPOSJET-UHFFFAOYSA-N
XLogP2.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine
CID 72863740
5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133448681
2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133452049
(2S)-1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97212109
[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 136514994
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 126758367
3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 133448651
2-tert-butyl-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 139004229
ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 133365960
2-propan-2-yl-5-(3-prop-2-enoxypyrrolidin-1-yl)-1,3,4-thiadiazole
CID 133465482
2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133382514
3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole
CID 115394295

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (CID 133448620) is 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(N2CCC(c3nncn3C3CC3)CC2)s1.
What is the InChIKey of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is RSEJZHNUPOSJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-10(2)14-18-19-15(22-14)20-7-5-11(6-8-20)13-17-16-9-21(13)12-3-4-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 318.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 133448620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).