N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C25H20N4O2S — CID 55462709

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccccc1N(C(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2s1
InChIInChI=1S/C25H20N4O2S/c1-17-8-2-6-12-21(17)29(25-27-20-11-5-7-13-22(20)32-25)23(30)14-15-28-16-26-19-10-4-3-9-18(19)24(28)31/h2-13,16H,14-15H2,1H3
InChIKeyFPWZZQGUYWNKFJ-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.07
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 55462709) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID55462709
Molecular FormulaC25H20N4O2S
Molecular Weight440.53 g/mol
Exact Mass440.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccccc1N(C(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2s1
InChIInChI=1S/C25H20N4O2S/c1-17-8-2-6-12-21(17)29(25-27-20-11-5-7-13-22(20)32-25)23(30)14-15-28-16-26-19-10-4-3-9-18(19)24(28)31/h2-13,16H,14-15H2,1H3
InChIKeyFPWZZQGUYWNKFJ-UHFFFAOYSA-N
XLogP5.07
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573180
N-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methylphenyl)propanamide
CID 55381162
N-(1,3-benzothiazol-2-yl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)butanamide
CID 55333622
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 55333760
N-(1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-methylphenyl)acetamide
CID 55333597
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55883158
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119198315
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 8001424
(E)-N,3-bis(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)prop-2-enamide
CID 55333731

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 55462709) is N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is Cc1ccccc1N(C(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is FPWZZQGUYWNKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S/c1-17-8-2-6-12-21(17)29(25-27-20-11-5-7-13-22(20)32-25)23(30)14-15-28-16-26-19-10-4-3-9-18(19)24(28)31/h2-13,16H,14-15H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 440.53 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 55462709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).