2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide

C22H19FN2O2S2 — CID 18532307

IUPAC2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)N(Cc2ccco2)Cc2cccs2)s1
InChIInChI=1S/C22H19FN2O2S2/c1-15-24-22(16-6-8-17(23)9-7-16)20(29-15)12-21(26)25(13-18-4-2-10-27-18)14-19-5-3-11-28-19/h2-11H,12-14H2,1H3
InChIKeyUYFINSPPCOBTLN-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.68
Rot. Bonds7

About 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide

2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 18532307) has the molecular formula C22H19FN2O2S2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID18532307
Molecular FormulaC22H19FN2O2S2
Molecular Weight426.54 g/mol
Exact Mass426.09
IUPAC Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)N(Cc2ccco2)Cc2cccs2)s1
InChIInChI=1S/C22H19FN2O2S2/c1-15-24-22(16-6-8-17(23)9-7-16)20(29-15)12-21(26)25(13-18-4-2-10-27-18)14-19-5-3-11-28-19/h2-11H,12-14H2,1H3
InChIKeyUYFINSPPCOBTLN-UHFFFAOYSA-N
XLogP5.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 18532307) is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide is Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(Cc2ccco2)Cc2cccs2)s1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UYFINSPPCOBTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S2/c1-15-24-22(16-6-8-17(23)9-7-16)20(29-15)12-21(26)25(13-18-4-2-10-27-18)14-19-5-3-11-28-19/h2-11H,12-14H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 18532307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).