4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol

C18H19F2N5OS — CID 155263844

IUPAC4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESCc1nn(C)cc1-c1nsc(N2CCC(O)(c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C18H19F2N5OS/c1-11-13(10-24(2)22-11)16-21-17(27-23-16)25-7-5-18(26,6-8-25)12-3-4-14(19)15(20)9-12/h3-4,9-10,26H,5-8H2,1-2H3
InChIKeyOVNJAAIUQHUCRS-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.01
Rot. Bonds3

About 4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol

4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (PubChem CID 155263844) has the molecular formula C18H19F2N5OS and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
PubChem CID155263844
Molecular FormulaC18H19F2N5OS
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESCc1nn(C)cc1-c1nsc(N2CCC(O)(c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C18H19F2N5OS/c1-11-13(10-24(2)22-11)16-21-17(27-23-16)25-7-5-18(26,6-8-25)12-3-4-14(19)15(20)9-12/h3-4,9-10,26H,5-8H2,1-2H3
InChIKeyOVNJAAIUQHUCRS-UHFFFAOYSA-N
XLogP3.01
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (CID 155263844) is 4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is Cc1nn(C)cc1-c1nsc(N2CCC(O)(c3ccc(F)c(F)c3)CC2)n1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The InChIKey is OVNJAAIUQHUCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5OS/c1-11-13(10-24(2)22-11)16-21-17(27-23-16)25-7-5-18(26,6-8-25)12-3-4-14(19)15(20)9-12/h3-4,9-10,26H,5-8H2,1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol has a molecular weight of 391.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 155263844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).