N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide

C16H16N4O2S2 — CID 5329674

IUPACN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
SMILESCCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
InChIInChI=1S/C16H16N4O2S2/c1-2-12-8-18-14(22-12)10-23-15-9-19-16(24-15)20-13(21)6-11-4-3-5-17-7-11/h3-5,7-9H,2,6,10H2,1H3,(H,19,20,21)
InChIKeyNDUNPMAPBHPTHE-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.56
Rot. Bonds7

About N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide (PubChem CID 5329674) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
PubChem CID5329674
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
SMILESCCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
InChIInChI=1S/C16H16N4O2S2/c1-2-12-8-18-14(22-12)10-23-15-9-19-16(24-15)20-13(21)6-11-4-3-5-17-7-11/h3-5,7-9H,2,6,10H2,1H3,(H,19,20,21)
InChIKeyNDUNPMAPBHPTHE-UHFFFAOYSA-N
XLogP3.56
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide (CID 5329674) is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide is CCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1.
What is the InChIKey of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
The InChIKey is NDUNPMAPBHPTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-2-12-8-18-14(22-12)10-23-15-9-19-16(24-15)20-13(21)6-11-4-3-5-17-7-11/h3-5,7-9H,2,6,10H2,1H3,(H,19,20,21).
What are the key properties of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide has a molecular weight of 360.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 5329674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).