2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole

C12H20N4OS — CID 133335896

IUPAC2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(CC3CCOC3)CC2)s1
InChIInChI=1S/C12H20N4OS/c1-10-13-14-12(18-10)16-5-3-15(4-6-16)8-11-2-7-17-9-11/h11H,2-9H2,1H3
InChIKeyUXQHYOZIIYRGHK-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.01
Rot. Bonds3

About 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole

2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 133335896) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole
PubChem CID133335896
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(CC3CCOC3)CC2)s1
InChIInChI=1S/C12H20N4OS/c1-10-13-14-12(18-10)16-5-3-15(4-6-16)8-11-2-7-17-9-11/h11H,2-9H2,1H3
InChIKeyUXQHYOZIIYRGHK-UHFFFAOYSA-N
XLogP1.01
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 58663759
2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 97120364
4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 133335978
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]aniline
CID 61312636
2-(4-bromopiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 80674326
1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
CID 97329750
1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 124842283
5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 61312836
2-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-5-methyl-1,3,4-thiadiazole
CID 80666788
3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 127418137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole (CID 133335896) is 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole is Cc1nnc(N2CCN(CC3CCOC3)CC2)s1.
What is the InChIKey of 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is UXQHYOZIIYRGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-10-13-14-12(18-10)16-5-3-15(4-6-16)8-11-2-7-17-9-11/h11H,2-9H2,1H3.
What are the key properties of 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 268.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133335896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).