2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol

C24H25FN4O3S — CID 135231648

IUPAC2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol
SMILESCc1nc(-c2nc(-c3ccc(OC(C)(C)F)cc3)cs2)nn1Cc1cccc(OCCO)c1
InChIInChI=1S/C24H25FN4O3S/c1-16-26-22(28-29(16)14-17-5-4-6-20(13-17)31-12-11-30)23-27-21(15-33-23)18-7-9-19(10-8-18)32-24(2,3)25/h4-10,13,15,30H,11-12,14H2,1-3H3
InChIKeyGMFDGELEYWOWJU-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.88
Rot. Bonds9

About 2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol

2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol (PubChem CID 135231648) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol
PubChem CID135231648
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Name2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol
SMILESCc1nc(-c2nc(-c3ccc(OC(C)(C)F)cc3)cs2)nn1Cc1cccc(OCCO)c1
InChIInChI=1S/C24H25FN4O3S/c1-16-26-22(28-29(16)14-17-5-4-6-20(13-17)31-12-11-30)23-27-21(15-33-23)18-7-9-19(10-8-18)32-24(2,3)25/h4-10,13,15,30H,11-12,14H2,1-3H3
InChIKeyGMFDGELEYWOWJU-UHFFFAOYSA-N
XLogP4.88
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol (CID 135231648) is 2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol is Cc1nc(-c2nc(-c3ccc(OC(C)(C)F)cc3)cs2)nn1Cc1cccc(OCCO)c1.
What is the InChIKey of 2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol?
The InChIKey is GMFDGELEYWOWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-16-26-22(28-29(16)14-17-5-4-6-20(13-17)31-12-11-30)23-27-21(15-33-23)18-7-9-19(10-8-18)32-24(2,3)25/h4-10,13,15,30H,11-12,14H2,1-3H3.
What are the key properties of 2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol?
2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol has a molecular weight of 468.55 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 135231648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).