4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole

C17H15FN2OS — CID 103597382

IUPAC4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole
SMILESCC(C)Oc1cc(-c2nc(-c3ccc(F)cc3)cs2)ccn1
InChIInChI=1S/C17H15FN2OS/c1-11(2)21-16-9-13(7-8-19-16)17-20-15(10-22-17)12-3-5-14(18)6-4-12/h3-11H,1-2H3
InChIKeyWQSSORQEDXWKDE-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.80
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole

4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole (PubChem CID 103597382) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole
PubChem CID103597382
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC Name4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole
SMILESCC(C)Oc1cc(-c2nc(-c3ccc(F)cc3)cs2)ccn1
InChIInChI=1S/C17H15FN2OS/c1-11(2)21-16-9-13(7-8-19-16)17-20-15(10-22-17)12-3-5-14(18)6-4-12/h3-11H,1-2H3
InChIKeyWQSSORQEDXWKDE-UHFFFAOYSA-N
XLogP4.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 103597381
4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597501
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline
CID 82152301
4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole
CID 6043812
4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62945283
2-[2-(methoxymethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole
CID 145149584
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707
(2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide
CID 56880216
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385
4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole
CID 103597527
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole (CID 103597382) is 4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole is CC(C)Oc1cc(-c2nc(-c3ccc(F)cc3)cs2)ccn1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole?
The InChIKey is WQSSORQEDXWKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-11(2)21-16-9-13(7-8-19-16)17-20-15(10-22-17)12-3-5-14(18)6-4-12/h3-11H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole?
4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole has a molecular weight of 314.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 103597382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).