5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one

C19H24N2O3S — CID 3800975

IUPAC5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one
SMILESCOc1ccccc1Nc1nc(C2(C)CC(CC(C)C)C(=O)O2)cs1
InChIInChI=1S/C19H24N2O3S/c1-12(2)9-13-10-19(3,24-17(13)22)16-11-25-18(21-16)20-14-7-5-6-8-15(14)23-4/h5-8,11-13H,9-10H2,1-4H3,(H,20,21)
InChIKeyMNLGDKIPLXSVRM-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.72
Rot. Bonds6

About 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one

5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one (PubChem CID 3800975) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one
PubChem CID3800975
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one
SMILESCOc1ccccc1Nc1nc(C2(C)CC(CC(C)C)C(=O)O2)cs1
InChIInChI=1S/C19H24N2O3S/c1-12(2)9-13-10-19(3,24-17(13)22)16-11-25-18(21-16)20-14-7-5-6-8-15(14)23-4/h5-8,11-13H,9-10H2,1-4H3,(H,20,21)
InChIKeyMNLGDKIPLXSVRM-UHFFFAOYSA-N
XLogP4.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The IUPAC name of 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one (CID 3800975) is 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one is COc1ccccc1Nc1nc(C2(C)CC(CC(C)C)C(=O)O2)cs1.
What is the InChIKey of 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The InChIKey is MNLGDKIPLXSVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-12(2)9-13-10-19(3,24-17(13)22)16-11-25-18(21-16)20-14-7-5-6-8-15(14)23-4/h5-8,11-13H,9-10H2,1-4H3,(H,20,21).
What are the key properties of 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one?
5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one has a molecular weight of 360.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 3800975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).