2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole

C16H11F3N2OS — CID 89134204

IUPAC2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole
SMILESC=C1C=CC(c2nccs2)=CN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2OS/c1-11-2-3-12(15-20-8-9-23-15)10-21(11)13-4-6-14(7-5-13)22-16(17,18)19/h2-10H,1H2
InChIKeyFRYPMPQAQJFCGJ-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.97
Rot. Bonds3

About 2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole

2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole (PubChem CID 89134204) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole
PubChem CID89134204
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC Name2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole
SMILESC=C1C=CC(c2nccs2)=CN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2OS/c1-11-2-3-12(15-20-8-9-23-15)10-21(11)13-4-6-14(7-5-13)22-16(17,18)19/h2-10H,1H2
InChIKeyFRYPMPQAQJFCGJ-UHFFFAOYSA-N
XLogP4.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol
CID 89134226
N,N-dimethyl-6-methylidene-1-[4-(trifluoromethoxy)phenyl]pyridine-3-sulfonamide
CID 89134174
N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 61331512
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60960358
2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole
CID 19862479
2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 175748253
5-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
CID 71212124
N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 26023726
N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 67310384
4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one
CID 171061640
3-chloro-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 63384165
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973

Frequently Asked Questions

What is the IUPAC name of 2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole (CID 89134204) is 2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole is C=C1C=CC(c2nccs2)=CN1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole?
The InChIKey is FRYPMPQAQJFCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c1-11-2-3-12(15-20-8-9-23-15)10-21(11)13-4-6-14(7-5-13)22-16(17,18)19/h2-10H,1H2.
What are the key properties of 2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole?
2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole has a molecular weight of 336.34 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 89134204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).