N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C24H24N4O2S — CID 86878908

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2csc(C(C)(C)C)n2)cc1
InChIInChI=1S/C24H24N4O2S/c1-15-26-20-8-6-5-7-19(20)22(30)28(15)18-11-9-16(10-12-18)21(29)25-13-17-14-31-23(27-17)24(2,3)4/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyZANVVWNVJVZPPC-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.38
Rot. Bonds4

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 86878908) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID86878908
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2csc(C(C)(C)C)n2)cc1
InChIInChI=1S/C24H24N4O2S/c1-15-26-20-8-6-5-7-19(20)22(30)28(15)18-11-9-16(10-12-18)21(29)25-13-17-14-31-23(27-17)24(2,3)4/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyZANVVWNVJVZPPC-UHFFFAOYSA-N
XLogP4.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 71910593
1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86971546
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
N-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55368453
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 17463603
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776818
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
(2R,5S)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 97225766

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 86878908) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2csc(C(C)(C)C)n2)cc1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is ZANVVWNVJVZPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15-26-20-8-6-5-7-19(20)22(30)28(15)18-11-9-16(10-12-18)21(29)25-13-17-14-31-23(27-17)24(2,3)4/h5-12,14H,13H2,1-4H3,(H,25,29).
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 432.55 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 86878908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).