5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole

C10H16F2N4S — CID 133328684

IUPAC5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C10H16F2N4S/c1-2-9-13-10(17-14-9)16-5-3-15(4-6-16)7-8(11)12/h8H,2-7H2,1H3
InChIKeySAPKFHANRMTHJT-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.49
Rot. Bonds4

About 5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole

5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole (PubChem CID 133328684) has the molecular formula C10H16F2N4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
PubChem CID133328684
Molecular FormulaC10H16F2N4S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC Name5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C10H16F2N4S/c1-2-9-13-10(17-14-9)16-5-3-15(4-6-16)7-8(11)12/h8H,2-7H2,1H3
InChIKeySAPKFHANRMTHJT-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
2-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile
CID 126829220
Sodium 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarbodithioate
CID 23690464
3-Cyclopropyl-5-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1,2,4-thiadiazole
CID 75437319
3-[[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 75441859
N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959823
3-(Piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959825
3-cyclopropyl-5-[(3R)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1,2,4-thiadiazole
CID 97330538
3-cyclopropyl-5-[(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1,2,4-thiadiazole
CID 97330539
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391
3-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
CID 107304468
4-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine
CID 107304471

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole (CID 133328684) is 5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CCN(CC(F)F)CC2)n1.
What is the InChIKey of 5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The InChIKey is SAPKFHANRMTHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4S/c1-2-9-13-10(17-14-9)16-5-3-15(4-6-16)7-8(11)12/h8H,2-7H2,1H3.
What are the key properties of 5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole has a molecular weight of 262.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 133328684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).