2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C22H19FN4O4S — CID 58026089

IUPAC2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1F
InChIInChI=1S/C22H19FN4O4S/c1-26-16-6-4-5-13(19(16)20(29)27(2)22(26)30)10-18(28)25-21-24-15(11-32-21)12-7-8-17(31-3)14(23)9-12/h4-9,11H,10H2,1-3H3,(H,24,25,28)
InChIKeyMUOUEOHTPQAMNU-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.69
Rot. Bonds5

About 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 58026089) has the molecular formula C22H19FN4O4S and a molecular weight of 454.48 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID58026089
Molecular FormulaC22H19FN4O4S
Molecular Weight454.48 g/mol
Exact Mass454.11
IUPAC Name2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1F
InChIInChI=1S/C22H19FN4O4S/c1-26-16-6-4-5-13(19(16)20(29)27(2)22(26)30)10-18(28)25-21-24-15(11-32-21)12-7-8-17(31-3)14(23)9-12/h4-9,11H,10H2,1-3H3,(H,24,25,28)
InChIKeyMUOUEOHTPQAMNU-UHFFFAOYSA-N
XLogP2.69
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 58026089) is 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1F.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MUOUEOHTPQAMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S/c1-26-16-6-4-5-13(19(16)20(29)27(2)22(26)30)10-18(28)25-21-24-15(11-32-21)12-7-8-17(31-3)14(23)9-12/h4-9,11H,10H2,1-3H3,(H,24,25,28).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 454.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 58026089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).