2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole

C11H16N6S — CID 131947953

IUPAC2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCCC(c3ncn[nH]3)C2)s1
InChIInChI=1S/C11H16N6S/c1-8-14-15-10(18-8)6-17-4-2-3-9(5-17)11-12-7-13-16-11/h7,9H,2-6H2,1H3,(H,12,13,16)
InChIKeyNZMPYFWQKZYVCL-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.34
Rot. Bonds3

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

2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (PubChem CID 131947953) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
PubChem CID131947953
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCCC(c3ncn[nH]3)C2)s1
InChIInChI=1S/C11H16N6S/c1-8-14-15-10(18-8)6-17-4-2-3-9(5-17)11-12-7-13-16-11/h7,9H,2-6H2,1H3,(H,12,13,16)
InChIKeyNZMPYFWQKZYVCL-UHFFFAOYSA-N
XLogP1.34
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole with MolForge

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Related Compounds

(3S)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 129613238
2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole
CID 136585671
2-methyl-5-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 164632630
2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 133501671
1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 77097794
N-methyl-1-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 108111535
N-methyl-1-[1-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 108111536
[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 108111539
[1-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 108111540
N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(3-methylsulfanylpropyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
CID 109859011
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 118788539
1-(2-tert-butylsulfanylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 121526309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (CID 131947953) is 2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is Cc1nnc(CN2CCCC(c3ncn[nH]3)C2)s1.
What is the InChIKey of 2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is NZMPYFWQKZYVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-8-14-15-10(18-8)6-17-4-2-3-9(5-17)11-12-7-13-16-11/h7,9H,2-6H2,1H3,(H,12,13,16).
What are the key properties of 2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 264.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 131947953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).