4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole

C11H10F5NO2S2 — CID 150578312

IUPAC4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole
SMILESO=S(=O)(CCC(F)=C(F)F)c1nc(C2CC2)c(C(F)F)s1
InChIInChI=1S/C11H10F5NO2S2/c12-6(9(13)14)3-4-21(18,19)11-17-7(5-1-2-5)8(20-11)10(15)16/h5,10H,1-4H2
InChIKeyINHGIQDYYMKOOZ-UHFFFAOYSA-N
MW347.33 g/mol
LogP4.20
Rot. Bonds6

About 4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole

4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole (PubChem CID 150578312) has the molecular formula C11H10F5NO2S2 and a molecular weight of 347.33 g/mol. Its IUPAC name is 4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole
PubChem CID150578312
Molecular FormulaC11H10F5NO2S2
Molecular Weight347.33 g/mol
Exact Mass347.01
IUPAC Name4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole
SMILESO=S(=O)(CCC(F)=C(F)F)c1nc(C2CC2)c(C(F)F)s1
InChIInChI=1S/C11H10F5NO2S2/c12-6(9(13)14)3-4-21(18,19)11-17-7(5-1-2-5)8(20-11)10(15)16/h5,10H,1-4H2
InChIKeyINHGIQDYYMKOOZ-UHFFFAOYSA-N
XLogP4.20
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole (CID 150578312) is 4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole is O=S(=O)(CCC(F)=C(F)F)c1nc(C2CC2)c(C(F)F)s1.
What is the InChIKey of 4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole?
The InChIKey is INHGIQDYYMKOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO2S2/c12-6(9(13)14)3-4-21(18,19)11-17-7(5-1-2-5)8(20-11)10(15)16/h5,10H,1-4H2.
What are the key properties of 4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole?
4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole has a molecular weight of 347.33 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole is sourced from PubChem (CID 150578312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).