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

C23H22N4O2S — CID 135722163

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1ccc(-c2csc(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)n2)cc1C
InChIInChI=1S/C23H22N4O2S/c1-14-10-11-16(12-15(14)2)19-13-30-23(25-19)27-21(28)9-5-8-20-24-18-7-4-3-6-17(18)22(29)26-20/h3-4,6-7,10-13H,5,8-9H2,1-2H3,(H,24,26,29)(H,25,27,28)
InChIKeyIOZUHSSGRDYJSK-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.62
Rot. Bonds6

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

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135722163) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135722163
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1ccc(-c2csc(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)n2)cc1C
InChIInChI=1S/C23H22N4O2S/c1-14-10-11-16(12-15(14)2)19-13-30-23(25-19)27-21(28)9-5-8-20-24-18-7-4-3-6-17(18)22(29)26-20/h3-4,6-7,10-13H,5,8-9H2,1-2H3,(H,24,26,29)(H,25,27,28)
InChIKeyIOZUHSSGRDYJSK-UHFFFAOYSA-N
XLogP4.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135689544
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137277810
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119677128
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 135894096
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfanylbutanamide
CID 41086080
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135954920
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135877243

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135722163) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is Cc1ccc(-c2csc(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is IOZUHSSGRDYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-14-10-11-16(12-15(14)2)19-13-30-23(25-19)27-21(28)9-5-8-20-24-18-7-4-3-6-17(18)22(29)26-20/h3-4,6-7,10-13H,5,8-9H2,1-2H3,(H,24,26,29)(H,25,27,28).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 418.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135722163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).