3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one

C20H24N2O2S2 — CID 10596445

IUPAC3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(-c2cc(C(C)C)cc(-n3c(C)c(C)sc3=O)c2C)c1C
InChIInChI=1S/C20H24N2O2S2/c1-10(2)16-8-17(21-12(4)14(6)25-19(21)23)11(3)18(9-16)22-13(5)15(7)26-20(22)24/h8-10H,1-7H3
InChIKeyNVPPRGJANNILTN-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.78
Rot. Bonds3

About 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 10596445) has the molecular formula C20H24N2O2S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID10596445
Molecular FormulaC20H24N2O2S2
Molecular Weight388.56 g/mol
Exact Mass388.13
IUPAC Name3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(-c2cc(C(C)C)cc(-n3c(C)c(C)sc3=O)c2C)c1C
InChIInChI=1S/C20H24N2O2S2/c1-10(2)16-8-17(21-12(4)14(6)25-19(21)23)11(3)18(9-16)22-13(5)15(7)26-20(22)24/h8-10H,1-7H3
InChIKeyNVPPRGJANNILTN-UHFFFAOYSA-N
XLogP4.78
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 10596445) is 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(-c2cc(C(C)C)cc(-n3c(C)c(C)sc3=O)c2C)c1C.
What is the InChIKey of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is NVPPRGJANNILTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S2/c1-10(2)16-8-17(21-12(4)14(6)25-19(21)23)11(3)18(9-16)22-13(5)15(7)26-20(22)24/h8-10H,1-7H3.
What are the key properties of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 388.56 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 10596445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).