N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C21H19N5O2S — CID 135886968

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C21H19N5O2S/c27-18(24-21-26-25-19(29-21)13-14-7-2-1-3-8-14)12-6-11-17-22-16-10-5-4-9-15(16)20(28)23-17/h1-5,7-10H,6,11-13H2,(H,22,23,28)(H,24,26,27)
InChIKeyYEFAZSHQVVSUCQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.33
Rot. Bonds7

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135886968) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135886968
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C21H19N5O2S/c27-18(24-21-26-25-19(29-21)13-14-7-2-1-3-8-14)12-6-11-17-22-16-10-5-4-9-15(16)20(28)23-17/h1-5,7-10H,6,11-13H2,(H,22,23,28)(H,24,26,27)
InChIKeyYEFAZSHQVVSUCQ-UHFFFAOYSA-N
XLogP3.33
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31039066
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135722163
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135886968) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is YEFAZSHQVVSUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c27-18(24-21-26-25-19(29-21)13-14-7-2-1-3-8-14)12-6-11-17-22-16-10-5-4-9-15(16)20(28)23-17/h1-5,7-10H,6,11-13H2,(H,22,23,28)(H,24,26,27).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 405.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135886968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).