4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole

C18H16F2N2OS — CID 154070980

IUPAC4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole
SMILESCC(C)c1ccncc1-c1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C18H16F2N2OS/c1-11(2)14-7-8-21-9-15(14)17-22-16(10-24-17)12-3-5-13(6-4-12)23-18(19)20/h3-11,18H,1-2H3
InChIKeyQREHMWRSDQMAHG-UHFFFAOYSA-N
MW346.40 g/mol
LogP5.60
Rot. Bonds5

About 4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole

4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole (PubChem CID 154070980) has the molecular formula C18H16F2N2OS and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole
PubChem CID154070980
Molecular FormulaC18H16F2N2OS
Molecular Weight346.40 g/mol
Exact Mass346.10
IUPAC Name4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole
SMILESCC(C)c1ccncc1-c1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C18H16F2N2OS/c1-11(2)14-7-8-21-9-15(14)17-22-16(10-24-17)12-3-5-13(6-4-12)23-18(19)20/h3-11,18H,1-2H3
InChIKeyQREHMWRSDQMAHG-UHFFFAOYSA-N
XLogP5.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole (CID 154070980) is 4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole is CC(C)c1ccncc1-c1nc(-c2ccc(OC(F)F)cc2)cs1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole?
The InChIKey is QREHMWRSDQMAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2OS/c1-11(2)14-7-8-21-9-15(14)17-22-16(10-24-17)12-3-5-13(6-4-12)23-18(19)20/h3-11,18H,1-2H3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole?
4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole has a molecular weight of 346.40 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 154070980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).