2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole

C15H16F2N4O2S2 — CID 133382033

IUPAC2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C15H16F2N4O2S2/c16-12-4-3-11(9-13(12)17)25(22,23)21-7-5-20(6-8-21)15-19-18-14(24-15)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyFDKHOJSFHNBJCP-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.20
Rot. Bonds4

About 2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 133382033) has the molecular formula C15H16F2N4O2S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
PubChem CID133382033
Molecular FormulaC15H16F2N4O2S2
Molecular Weight386.45 g/mol
Exact Mass386.07
IUPAC Name2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C15H16F2N4O2S2/c16-12-4-3-11(9-13(12)17)25(22,23)21-7-5-20(6-8-21)15-19-18-14(24-15)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyFDKHOJSFHNBJCP-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133381641
2-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133383652
2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]sulfonyl-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene
CID 133382506
2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 71850455
2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 30864238
1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 133352307
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 121187202
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830
[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 108729776
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 124562567
6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 71807510

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole (CID 133382033) is 2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole is O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is FDKHOJSFHNBJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2S2/c16-12-4-3-11(9-13(12)17)25(22,23)21-7-5-20(6-8-21)15-19-18-14(24-15)10-1-2-10/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 386.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133382033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).