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

C18H12FN5O2S2 — CID 4520821

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H12FN5O2S2/c19-13-5-3-11(4-6-13)14-9-27-17(21-14)22-15(25)10-28-18-24-23-16(26-18)12-2-1-7-20-8-12/h1-9H,10H2,(H,21,22,25)
InChIKeyMOVRBLFDQYRHER-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.12
Rot. Bonds6

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4520821) has the molecular formula C18H12FN5O2S2 and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID4520821
Molecular FormulaC18H12FN5O2S2
Molecular Weight413.46 g/mol
Exact Mass413.04
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H12FN5O2S2/c19-13-5-3-11(4-6-13)14-9-27-17(21-14)22-15(25)10-28-18-24-23-16(26-18)12-2-1-7-20-8-12/h1-9H,10H2,(H,21,22,25)
InChIKeyMOVRBLFDQYRHER-UHFFFAOYSA-N
XLogP4.12
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 4520821) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is MOVRBLFDQYRHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2S2/c19-13-5-3-11(4-6-13)14-9-27-17(21-14)22-15(25)10-28-18-24-23-16(26-18)12-2-1-7-20-8-12/h1-9H,10H2,(H,21,22,25).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 413.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4520821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).