[2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol

C16H11F4N3OS — CID 10270429

IUPAC[2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1
InChIInChI=1S/C16H11F4N3OS/c17-12-4-3-10(6-11(12)16(18,19)20)22-15-23-14(13(8-24)25-15)9-2-1-5-21-7-9/h1-7,24H,8H2,(H,22,23)
InChIKeyKQHDQRNRCPFNPN-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.60
Rot. Bonds4

About [2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol

[2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol (PubChem CID 10270429) has the molecular formula C16H11F4N3OS and a molecular weight of 369.34 g/mol. Its IUPAC name is [2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol
PubChem CID10270429
Molecular FormulaC16H11F4N3OS
Molecular Weight369.34 g/mol
Exact Mass369.06
IUPAC Name[2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1
InChIInChI=1S/C16H11F4N3OS/c17-12-4-3-10(6-11(12)16(18,19)20)22-15-23-14(13(8-24)25-15)9-2-1-5-21-7-9/h1-7,24H,8H2,(H,22,23)
InChIKeyKQHDQRNRCPFNPN-UHFFFAOYSA-N
XLogP4.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol (CID 10270429) is [2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol is OCc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1.
What is the InChIKey of [2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is KQHDQRNRCPFNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3OS/c17-12-4-3-10(6-11(12)16(18,19)20)22-15-23-14(13(8-24)25-15)9-2-1-5-21-7-9/h1-7,24H,8H2,(H,22,23).
What are the key properties of [2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol?
[2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 369.34 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-3-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 10270429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).