(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole

C9H10F3NS — CID 137417364

IUPAC(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole
SMILESCC/C=c1/scn/c1=C/CC(F)(F)F
InChIInChI=1S/C9H10F3NS/c1-2-3-8-7(13-6-14-8)4-5-9(10,11)12/h3-4,6H,2,5H2,1H3/b7-4+,8-3+
InChIKeyFGXHITITFNPZEV-ZHLKMWHVSA-N
MW221.25 g/mol
LogP2.07
Rot. Bonds2

About (4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole

(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole (PubChem CID 137417364) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is (4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole
PubChem CID137417364
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole
SMILESCC/C=c1/scn/c1=C/CC(F)(F)F
InChIInChI=1S/C9H10F3NS/c1-2-3-8-7(13-6-14-8)4-5-9(10,11)12/h3-4,6H,2,5H2,1H3/b7-4+,8-3+
InChIKeyFGXHITITFNPZEV-ZHLKMWHVSA-N
XLogP2.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
CID 170756234
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
(4E,5E)-4,5-di(propylidene)-1,3-thiazole
CID 124189980
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole
CID 144598129
5,6-Dihydro-1,3-benzothiazole;ethane
CID 145058029
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 145484044
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole
CID 178004012
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole
CID 144598130

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole?
The IUPAC name of (4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole (CID 137417364) is (4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole.
What is the SMILES notation for (4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole?
The canonical SMILES for (4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole is CC/C=c1/scn/c1=C/CC(F)(F)F.
What is the InChIKey of (4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole?
The InChIKey is FGXHITITFNPZEV-ZHLKMWHVSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-2-3-8-7(13-6-14-8)4-5-9(10,11)12/h3-4,6H,2,5H2,1H3/b7-4+,8-3+.
What are the key properties of (4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole?
(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole has a molecular weight of 221.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole is sourced from PubChem (CID 137417364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).