4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C10H8F3NOS — CID 116969911

IUPAC4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(CC(F)(F)F)n2)o1
InChIInChI=1S/C10H8F3NOS/c1-6-2-3-8(15-6)7-5-16-9(14-7)4-10(11,12)13/h2-3,5H,4H2,1H3
InChIKeyDOEJGYZWPJHFRT-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.82
Rot. Bonds2

About 4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 116969911) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID116969911
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(CC(F)(F)F)n2)o1
InChIInChI=1S/C10H8F3NOS/c1-6-2-3-8(15-6)7-5-16-9(14-7)4-10(11,12)13/h2-3,5H,4H2,1H3
InChIKeyDOEJGYZWPJHFRT-UHFFFAOYSA-N
XLogP3.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965222
N-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544012
2-bromo-4-(5-methylfuran-2-yl)-1,3-thiazole
CID 112623649
ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate
CID 43120367
4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
CID 63333142
4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 116969906
2-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116892858
3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966881
5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355599
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 62543895
1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61339023
2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 58181819

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 116969911) is 4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is Cc1ccc(-c2csc(CC(F)(F)F)n2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is DOEJGYZWPJHFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c1-6-2-3-8(15-6)7-5-16-9(14-7)4-10(11,12)13/h2-3,5H,4H2,1H3.
What are the key properties of 4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 247.24 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 116969911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).