2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C19H13FN4O2S2 — CID 4010902

IUPAC2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H13FN4O2S2/c20-14-8-4-7-13(9-14)17-23-24-19(26-17)28-11-16(25)22-18-21-15(10-27-18)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,22,25)
InChIKeyCZHMRNHGFSMELN-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.73
Rot. Bonds6

About 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4010902) has the molecular formula C19H13FN4O2S2 and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID4010902
Molecular FormulaC19H13FN4O2S2
Molecular Weight412.47 g/mol
Exact Mass412.05
IUPAC Name2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H13FN4O2S2/c20-14-8-4-7-13(9-14)17-23-24-19(26-17)28-11-16(25)22-18-21-15(10-27-18)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,22,25)
InChIKeyCZHMRNHGFSMELN-UHFFFAOYSA-N
XLogP4.73
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-{2-[5-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetylamino}-thiazol-4-yl)-acetic acid ethyl ester
CID 653271
{2-[2-(5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 656275
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2476992
N-[4-[[5-(3-anilino-3-oxopropyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 145963715
2-[5-(4-Diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methyl-thiazol-2-yl)-acetamide
CID 649577
N-(4-Methyl-thiazol-2-yl)-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 651701
N-(4-methylphenyl)-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2112927
Thiazol-2-amine, 4-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)thio-
CID 631767
2-{[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 866858
methyl 4-[(E)-[3-methyl-5-oxo-1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazol-4-ylidene]methyl]benzoate
CID 172439221
methyl 4-[(E)-[1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxopyrazol-4-ylidene]methyl]benzoate
CID 172454922
methyl 4-[(E)-[1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxopyrazol-4-ylidene]methyl]benzoate
CID 172455695

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 4010902) is 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CZHMRNHGFSMELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S2/c20-14-8-4-7-13(9-14)17-23-24-19(26-17)28-11-16(25)22-18-21-15(10-27-18)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,22,25).
What are the key properties of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 412.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4010902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).