N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide

C19H16F2N2O2S — CID 1013759

IUPACN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C19H16F2N2O2S/c1-11(2)25-14-6-3-12(4-7-14)18(24)23-19-22-17(10-26-19)15-8-5-13(20)9-16(15)21/h3-11H,1-2H3,(H,22,23,24)
InChIKeyJXBOVMFKTTZQGN-UHFFFAOYSA-N
MW374.41 g/mol
LogP5.13
Rot. Bonds5

About N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide

N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 1013759) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
PubChem CID1013759
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C19H16F2N2O2S/c1-11(2)25-14-6-3-12(4-7-14)18(24)23-19-22-17(10-26-19)15-8-5-13(20)9-16(15)21/h3-11H,1-2H3,(H,22,23,24)
InChIKeyJXBOVMFKTTZQGN-UHFFFAOYSA-N
XLogP5.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide (CID 1013759) is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is JXBOVMFKTTZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-11(2)25-14-6-3-12(4-7-14)18(24)23-19-22-17(10-26-19)15-8-5-13(20)9-16(15)21/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide?
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 374.41 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 1013759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).