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

C20H18N4O2S — CID 16573180

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCCN(C(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2s1
InChIInChI=1S/C20H18N4O2S/c1-2-24(20-22-16-9-5-6-10-17(16)27-20)18(25)11-12-23-13-21-15-8-4-3-7-14(15)19(23)26/h3-10,13H,2,11-12H2,1H3
InChIKeySUTDPWRAHJIKIM-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.45
Rot. Bonds5

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

N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 16573180) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID16573180
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCCN(C(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2s1
InChIInChI=1S/C20H18N4O2S/c1-2-24(20-22-16-9-5-6-10-17(16)27-20)18(25)11-12-23-13-21-15-8-4-3-7-14(15)19(23)26/h3-10,13H,2,11-12H2,1H3
InChIKeySUTDPWRAHJIKIM-UHFFFAOYSA-N
XLogP3.45
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55462709
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 16605874
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 34191636
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide
CID 52564428
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
CID 7577310
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18141671
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 55580126
3-propylquinazolin-4-one
CID 529124

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide (CID 16573180) is N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide is CCN(C(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is SUTDPWRAHJIKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-2-24(20-22-16-9-5-6-10-17(16)27-20)18(25)11-12-23-13-21-15-8-4-3-7-14(15)19(23)26/h3-10,13H,2,11-12H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 378.46 g/mol, XLogP of 3.45, 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-ethyl-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 16573180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).