3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide

C19H17F3N2O2S — CID 3253337

IUPAC3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(CCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)o1
InChIInChI=1S/C19H17F3N2O2S/c1-12-5-6-15(26-12)7-8-17(25)24-18-23-11-16(27-18)10-13-3-2-4-14(9-13)19(20,21)22/h2-6,9,11H,7-8,10H2,1H3,(H,23,24,25)
InChIKeyFAQSGZDSAXSQPE-UHFFFAOYSA-N
MW394.42 g/mol
LogP5.23
Rot. Bonds6

About 3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide

3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 3253337) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID3253337
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(CCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)o1
InChIInChI=1S/C19H17F3N2O2S/c1-12-5-6-15(26-12)7-8-17(25)24-18-23-11-16(27-18)10-13-3-2-4-14(9-13)19(20,21)22/h2-6,9,11H,7-8,10H2,1H3,(H,23,24,25)
InChIKeyFAQSGZDSAXSQPE-UHFFFAOYSA-N
XLogP5.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide (CID 3253337) is 3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide is Cc1ccc(CCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is FAQSGZDSAXSQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-12-5-6-15(26-12)7-8-17(25)24-18-23-11-16(27-18)10-13-3-2-4-14(9-13)19(20,21)22/h2-6,9,11H,7-8,10H2,1H3,(H,23,24,25).
What are the key properties of 3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 394.42 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 3253337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).