4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one

C12H15N3O2S2 — CID 126824271

IUPAC4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one
SMILESCSC1(c2noc(CCn3c(C)csc3=O)n2)CC1
InChIInChI=1S/C12H15N3O2S2/c1-8-7-19-11(16)15(8)6-3-9-13-10(14-17-9)12(18-2)4-5-12/h7H,3-6H2,1-2H3
InChIKeyDPYLZECWNKDISZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.20
Rot. Bonds5

About 4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one

4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one (PubChem CID 126824271) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one
PubChem CID126824271
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one
SMILESCSC1(c2noc(CCn3c(C)csc3=O)n2)CC1
InChIInChI=1S/C12H15N3O2S2/c1-8-7-19-11(16)15(8)6-3-9-13-10(14-17-9)12(18-2)4-5-12/h7H,3-6H2,1-2H3
InChIKeyDPYLZECWNKDISZ-UHFFFAOYSA-N
XLogP2.20
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one (CID 126824271) is 4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one is CSC1(c2noc(CCn3c(C)csc3=O)n2)CC1.
What is the InChIKey of 4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one?
The InChIKey is DPYLZECWNKDISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-8-7-19-11(16)15(8)6-3-9-13-10(14-17-9)12(18-2)4-5-12/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one has a molecular weight of 297.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 126824271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).