4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide

C24H24N4O2S — CID 135870943

IUPAC4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)n2)c(C)c1
InChIInChI=1S/C24H24N4O2S/c1-14-11-15(2)22(16(3)12-14)19-13-31-24(26-19)28-21(29)10-6-9-20-25-18-8-5-4-7-17(18)23(30)27-20/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,25,27,30)(H,26,28,29)
InChIKeyAFCCDJXEPSJYQQ-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.93
Rot. Bonds6

About 4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide

4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 135870943) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID135870943
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)n2)c(C)c1
InChIInChI=1S/C24H24N4O2S/c1-14-11-15(2)22(16(3)12-14)19-13-31-24(26-19)28-21(29)10-6-9-20-25-18-8-5-4-7-17(18)23(30)27-20/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,25,27,30)(H,26,28,29)
InChIKeyAFCCDJXEPSJYQQ-UHFFFAOYSA-N
XLogP4.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide (CID 135870943) is 4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide is Cc1cc(C)c(-c2csc(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)n2)c(C)c1.
What is the InChIKey of 4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is AFCCDJXEPSJYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-14-11-15(2)22(16(3)12-14)19-13-31-24(26-19)28-21(29)10-6-9-20-25-18-8-5-4-7-17(18)23(30)27-20/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,25,27,30)(H,26,28,29).
What are the key properties of 4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?
4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 432.55 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3H-quinazolin-2-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 135870943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).