[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone

C17H18F2N6OS — CID 166747316

IUPAC[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nnc(N2CCN(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)s1
InChIInChI=1S/C17H18F2N6OS/c1-11-21-22-16(27-11)23-4-6-24(7-5-23)17(26)25-15(2-3-20-25)12-8-13(18)10-14(19)9-12/h3,8-10,15H,2,4-7H2,1H3
InChIKeyHWXQCHYHUWKFJI-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.80
Rot. Bonds2

About [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone

[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 166747316) has the molecular formula C17H18F2N6OS and a molecular weight of 392.44 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
PubChem CID166747316
Molecular FormulaC17H18F2N6OS
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nnc(N2CCN(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)s1
InChIInChI=1S/C17H18F2N6OS/c1-11-21-22-16(27-11)23-4-6-24(7-5-23)17(26)25-15(2-3-20-25)12-8-13(18)10-14(19)9-12/h3,8-10,15H,2,4-7H2,1H3
InChIKeyHWXQCHYHUWKFJI-UHFFFAOYSA-N
XLogP2.80
TPSA64.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone (CID 166747316) is [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone is Cc1nnc(N2CCN(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)s1.
What is the InChIKey of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is HWXQCHYHUWKFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6OS/c1-11-21-22-16(27-11)23-4-6-24(7-5-23)17(26)25-15(2-3-20-25)12-8-13(18)10-14(19)9-12/h3,8-10,15H,2,4-7H2,1H3.
What are the key properties of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 392.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 166747316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).