2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol

C10H13F2N3O3S2 — CID 166357429

IUPAC2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol
SMILESO=S(=O)(C1CC1(F)F)N1CCN(c2nc(O)cs2)CC1
InChIInChI=1S/C10H13F2N3O3S2/c11-10(12)5-7(10)20(17,18)15-3-1-14(2-4-15)9-13-8(16)6-19-9/h6-7,16H,1-5H2
InChIKeyNZZLIUBZCWWJFC-UHFFFAOYSA-N
MW325.36 g/mol
LogP0.71
Rot. Bonds3

About 2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol

2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol (PubChem CID 166357429) has the molecular formula C10H13F2N3O3S2 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol
PubChem CID166357429
Molecular FormulaC10H13F2N3O3S2
Molecular Weight325.36 g/mol
Exact Mass325.04
IUPAC Name2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol
SMILESO=S(=O)(C1CC1(F)F)N1CCN(c2nc(O)cs2)CC1
InChIInChI=1S/C10H13F2N3O3S2/c11-10(12)5-7(10)20(17,18)15-3-1-14(2-4-15)9-13-8(16)6-19-9/h6-7,16H,1-5H2
InChIKeyNZZLIUBZCWWJFC-UHFFFAOYSA-N
XLogP0.71
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol (CID 166357429) is 2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol is O=S(=O)(C1CC1(F)F)N1CCN(c2nc(O)cs2)CC1.
What is the InChIKey of 2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol?
The InChIKey is NZZLIUBZCWWJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3S2/c11-10(12)5-7(10)20(17,18)15-3-1-14(2-4-15)9-13-8(16)6-19-9/h6-7,16H,1-5H2.
What are the key properties of 2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol?
2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol has a molecular weight of 325.36 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol is sourced from PubChem (CID 166357429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).