N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C24H24N4O2S — CID 137277810

IUPACN-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCCCc1ccc(-c2csc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)n2)cc1
InChIInChI=1S/C24H24N4O2S/c1-2-3-6-16-9-11-17(12-10-16)20-15-31-24(26-20)28-22(29)14-13-21-25-19-8-5-4-7-18(19)23(30)27-21/h4-5,7-12,15H,2-3,6,13-14H2,1H3,(H,25,27,30)(H,26,28,29)
InChIKeyOWBPKRRIEIZFBP-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.96
Rot. Bonds8

About N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 137277810) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID137277810
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCCCc1ccc(-c2csc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)n2)cc1
InChIInChI=1S/C24H24N4O2S/c1-2-3-6-16-9-11-17(12-10-16)20-15-31-24(26-20)28-22(29)14-13-21-25-19-8-5-4-7-18(19)23(30)27-21/h4-5,7-12,15H,2-3,6,13-14H2,1H3,(H,25,27,30)(H,26,28,29)
InChIKeyOWBPKRRIEIZFBP-UHFFFAOYSA-N
XLogP4.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135722163
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135689544
2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 135894096
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
3-[2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539161
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 17349285
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 137277810) is N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CCCCc1ccc(-c2csc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)n2)cc1.
What is the InChIKey of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is OWBPKRRIEIZFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-2-3-6-16-9-11-17(12-10-16)20-15-31-24(26-20)28-22(29)14-13-21-25-19-8-5-4-7-18(19)23(30)27-21/h4-5,7-12,15H,2-3,6,13-14H2,1H3,(H,25,27,30)(H,26,28,29).
What are the key properties of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 432.55 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 137277810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).