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

C26H28N4O4S — CID 44595564

IUPAC2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)CCOc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1
InChIInChI=1S/C26H28N4O4S/c1-16(2)12-13-34-19-10-8-17(9-11-19)20-15-35-25(27-20)28-22(31)14-18-6-5-7-21-23(18)24(32)30(4)26(33)29(21)3/h5-11,15-16H,12-14H2,1-4H3,(H,27,28,31)
InChIKeyYGJKAILDLPIFCZ-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.97
Rot. Bonds8

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

2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 44595564) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID44595564
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)CCOc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1
InChIInChI=1S/C26H28N4O4S/c1-16(2)12-13-34-19-10-8-17(9-11-19)20-15-35-25(27-20)28-22(31)14-18-6-5-7-21-23(18)24(32)30(4)26(33)29(21)3/h5-11,15-16H,12-14H2,1-4H3,(H,27,28,31)
InChIKeyYGJKAILDLPIFCZ-UHFFFAOYSA-N
XLogP3.97
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.97
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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide (CID 44595564) is 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide is CC(C)CCOc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YGJKAILDLPIFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-16(2)12-13-34-19-10-8-17(9-11-19)20-15-35-25(27-20)28-22(31)14-18-6-5-7-21-23(18)24(32)30(4)26(33)29(21)3/h5-11,15-16H,12-14H2,1-4H3,(H,27,28,31).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 492.60 g/mol, XLogP of 3.97, 8 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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 44595564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).