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

C24H18N4O2S — CID 137299581

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C24H18N4O2S/c29-22(14-13-21-25-17-9-3-1-7-15(17)23(30)28-21)26-18-10-4-2-8-16(18)24-27-19-11-5-6-12-20(19)31-24/h1-12H,13-14H2,(H,26,29)(H,25,28,30)
InChIKeyPILKBCNWNSUWDP-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.77
Rot. Bonds5

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

N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 137299581) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID137299581
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C24H18N4O2S/c29-22(14-13-21-25-17-9-3-1-7-15(17)23(30)28-21)26-18-10-4-2-8-16(18)24-27-19-11-5-6-12-20(19)31-24/h1-12H,13-14H2,(H,26,29)(H,25,28,30)
InChIKeyPILKBCNWNSUWDP-UHFFFAOYSA-N
XLogP4.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 55757331
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide
CID 9361546
3-(4-oxo-3H-quinazolin-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 137278290
2-amino-5-[2-(1,3-benzothiazol-2-yl)anilino]-5-oxopentanoic acid
CID 131973516
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767542
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137284840
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]butanamide
CID 739215
1,3-benzothiazol-2-ylmethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135545643

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 137299581) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is PILKBCNWNSUWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c29-22(14-13-21-25-17-9-3-1-7-15(17)23(30)28-21)26-18-10-4-2-8-16(18)24-27-19-11-5-6-12-20(19)31-24/h1-12H,13-14H2,(H,26,29)(H,25,28,30).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 426.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 137299581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).