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

C18H13N5O2S2 — CID 2224625

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13N5O2S2/c24-15(21-17-20-14(10-26-17)12-5-2-1-3-6-12)11-27-18-23-22-16(25-18)13-7-4-8-19-9-13/h1-10H,11H2,(H,20,21,24)
InChIKeyJRKPQKJBVNLIPF-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.99
Rot. Bonds6

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

N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2224625) has the molecular formula C18H13N5O2S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2224625
Molecular FormulaC18H13N5O2S2
Molecular Weight395.47 g/mol
Exact Mass395.05
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13N5O2S2/c24-15(21-17-20-14(10-26-17)12-5-2-1-3-6-12)11-27-18-23-22-16(25-18)13-7-4-8-19-9-13/h1-10H,11H2,(H,20,21,24)
InChIKeyJRKPQKJBVNLIPF-UHFFFAOYSA-N
XLogP3.99
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2224625) is N-(4-phenyl-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-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-phenyl-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(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JRKPQKJBVNLIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S2/c24-15(21-17-20-14(10-26-17)12-5-2-1-3-6-12)11-27-18-23-22-16(25-18)13-7-4-8-19-9-13/h1-10H,11H2,(H,20,21,24).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 395.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2224625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).