3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole

C17H11FN2O2S2 — CID 112795731

IUPAC3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
SMILESFc1ccc(-c2csc(SCc3cc(-c4ccco4)on3)n2)cc1
InChIInChI=1S/C17H11FN2O2S2/c18-12-5-3-11(4-6-12)14-10-24-17(19-14)23-9-13-8-16(22-20-13)15-2-1-7-21-15/h1-8,10H,9H2
InChIKeyPJXIZJGWVHKOTL-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.49
Rot. Bonds5

About 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole

3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole (PubChem CID 112795731) has the molecular formula C17H11FN2O2S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
PubChem CID112795731
Molecular FormulaC17H11FN2O2S2
Molecular Weight358.42 g/mol
Exact Mass358.02
IUPAC Name3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
SMILESFc1ccc(-c2csc(SCc3cc(-c4ccco4)on3)n2)cc1
InChIInChI=1S/C17H11FN2O2S2/c18-12-5-3-11(4-6-12)14-10-24-17(19-14)23-9-13-8-16(22-20-13)15-2-1-7-21-15/h1-8,10H,9H2
InChIKeyPJXIZJGWVHKOTL-UHFFFAOYSA-N
XLogP5.49
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-((2-(2-fluorophenyl)-4-methylthiazol-5-yl)methyl)-5-(furan-2-yl)isoxazole-3-carboxamide
CID 71795531
N-(2-(2-(2-fluorophenyl)thiazol-4-yl)phenyl)-5-(furan-2-yl)isoxazole-3-carboxamide
CID 73168709
2-(2-Fluorophenyl)-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8419803
[5-(Furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8647530
[5-(Furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824709
3-(4-Fluorophenyl)-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-thiadiazole-2-thione
CID 9075537
5-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 24483697
[4-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 45538028
N-(4-(4-fluorophenyl)thiazol-2-yl)-5-(furan-2-yl)isoxazole-3-carboxamide
CID 45551722
2-[[5-(Furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 45768872
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 56492809
[5-(3-Fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate
CID 100701048

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole?
The IUPAC name of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole (CID 112795731) is 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole is Fc1ccc(-c2csc(SCc3cc(-c4ccco4)on3)n2)cc1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole?
The InChIKey is PJXIZJGWVHKOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2S2/c18-12-5-3-11(4-6-12)14-10-24-17(19-14)23-9-13-8-16(22-20-13)15-2-1-7-21-15/h1-8,10H,9H2.
What are the key properties of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole?
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole has a molecular weight of 358.42 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole is sourced from PubChem (CID 112795731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).