4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole

C14H19F2N5O2S2 — CID 46971595

IUPAC4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(S(=O)(=O)c3cnn(C(F)F)c3C)CC2)cs1
InChIInChI=1S/C14H19F2N5O2S2/c1-10-13(7-17-21(10)14(15)16)25(22,23)20-5-3-19(4-6-20)8-12-9-24-11(2)18-12/h7,9,14H,3-6,8H2,1-2H3
InChIKeyMEKOYQTXWBHTCV-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.86
Rot. Bonds5

About 4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 46971595) has the molecular formula C14H19F2N5O2S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID46971595
Molecular FormulaC14H19F2N5O2S2
Molecular Weight391.47 g/mol
Exact Mass391.09
IUPAC Name4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(S(=O)(=O)c3cnn(C(F)F)c3C)CC2)cs1
InChIInChI=1S/C14H19F2N5O2S2/c1-10-13(7-17-21(10)14(15)16)25(22,23)20-5-3-19(4-6-20)8-12-9-24-11(2)18-12/h7,9,14H,3-6,8H2,1-2H3
InChIKeyMEKOYQTXWBHTCV-UHFFFAOYSA-N
XLogP1.86
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 46971595) is 4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCN(S(=O)(=O)c3cnn(C(F)F)c3C)CC2)cs1.
What is the InChIKey of 4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is MEKOYQTXWBHTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O2S2/c1-10-13(7-17-21(10)14(15)16)25(22,23)20-5-3-19(4-6-20)8-12-9-24-11(2)18-12/h7,9,14H,3-6,8H2,1-2H3.
What are the key properties of 4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 391.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 46971595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).