N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

C19H16N4O3S — CID 4904222

IUPACN-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCCC(C(=O)Nc1nc2ccccc2s1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C19H16N4O3S/c1-2-14(16(24)22-18-20-13-9-5-6-10-15(13)27-18)23-17(25)11-7-3-4-8-12(11)21-19(23)26/h3-10,14H,2H2,1H3,(H,21,26)(H,20,22,24)
InChIKeyNKMOXTLAMXPZKF-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.89
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (PubChem CID 4904222) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
PubChem CID4904222
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCCC(C(=O)Nc1nc2ccccc2s1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C19H16N4O3S/c1-2-14(16(24)22-18-20-13-9-5-6-10-15(13)27-18)23-17(25)11-7-3-4-8-12(11)21-19(23)26/h3-10,14H,2H2,1H3,(H,21,26)(H,20,22,24)
InChIKeyNKMOXTLAMXPZKF-UHFFFAOYSA-N
XLogP2.89
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver
CID 87950103
(2R)-N-(1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
CID 41110980
N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4974474
3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione
CID 4905275
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)pentanoate
CID 68726339
N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 6460295
N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4912276
N-(1,3-benzothiazol-2-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025247
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoyl]amino]propanoic acid
CID 6851381
N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 57299473
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (CID 4904222) is N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is CCC(C(=O)Nc1nc2ccccc2s1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The InChIKey is NKMOXTLAMXPZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-2-14(16(24)22-18-20-13-9-5-6-10-15(13)27-18)23-17(25)11-7-3-4-8-12(11)21-19(23)26/h3-10,14H,2H2,1H3,(H,21,26)(H,20,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide has a molecular weight of 380.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is sourced from PubChem (CID 4904222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).