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

C18H14N4O2S — CID 4907134

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccc2s1)n1cnc2ccccc2c1=O
InChIInChI=1S/C18H14N4O2S/c1-11(22-10-19-13-7-3-2-6-12(13)17(22)24)16(23)21-18-20-14-8-4-5-9-15(14)25-18/h2-11H,1H3,(H,20,21,23)
InChIKeyHUXXWHPFTHYNES-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.21
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 4907134) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
PubChem CID4907134
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccc2s1)n1cnc2ccccc2c1=O
InChIInChI=1S/C18H14N4O2S/c1-11(22-10-19-13-7-3-2-6-12(13)17(22)24)16(23)21-18-20-14-8-4-5-9-15(14)25-18/h2-11H,1H3,(H,20,21,23)
InChIKeyHUXXWHPFTHYNES-UHFFFAOYSA-N
XLogP3.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 75356853
ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 71827680
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 43063903
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4974474
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019
(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 126431279
(2R)-N-(1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
CID 41110980
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101126

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide (CID 4907134) is N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide is CC(C(=O)Nc1nc2ccccc2s1)n1cnc2ccccc2c1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is HUXXWHPFTHYNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-11(22-10-19-13-7-3-2-6-12(13)17(22)24)16(23)21-18-20-14-8-4-5-9-15(14)25-18/h2-11H,1H3,(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 350.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 4907134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).