5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one

C18H22N2O2S — CID 2871807

IUPAC5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one
SMILESCc1ccc(Nc2nc(C3(C)CC(C(C)C)C(=O)O3)cs2)cc1
InChIInChI=1S/C18H22N2O2S/c1-11(2)14-9-18(4,22-16(14)21)15-10-23-17(20-15)19-13-7-5-12(3)6-8-13/h5-8,10-11,14H,9H2,1-4H3,(H,19,20)
InChIKeyGZCFSMSWTAJCGE-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.63
Rot. Bonds4

About 5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one

5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one (PubChem CID 2871807) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one
PubChem CID2871807
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one
SMILESCc1ccc(Nc2nc(C3(C)CC(C(C)C)C(=O)O3)cs2)cc1
InChIInChI=1S/C18H22N2O2S/c1-11(2)14-9-18(4,22-16(14)21)15-10-23-17(20-15)19-13-7-5-12(3)6-8-13/h5-8,10-11,14H,9H2,1-4H3,(H,19,20)
InChIKeyGZCFSMSWTAJCGE-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one?
The IUPAC name of 5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one (CID 2871807) is 5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one.
What is the SMILES notation for 5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one?
The canonical SMILES for 5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one is Cc1ccc(Nc2nc(C3(C)CC(C(C)C)C(=O)O3)cs2)cc1.
What is the InChIKey of 5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one?
The InChIKey is GZCFSMSWTAJCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-11(2)14-9-18(4,22-16(14)21)15-10-23-17(20-15)19-13-7-5-12(3)6-8-13/h5-8,10-11,14H,9H2,1-4H3,(H,19,20).
What are the key properties of 5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one?
5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one has a molecular weight of 330.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 2871807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).