4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide

C13H11N5O2S — CID 75413353

IUPAC4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C13H11N5O2S/c1-2-9-11(21-17-15-9)12(19)16-18-7-14-10-6-4-3-5-8(10)13(18)20/h3-7H,2H2,1H3,(H,16,19)
InChIKeyLCTXLCYITJAPDE-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.19
Rot. Bonds3

About 4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide

4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide (PubChem CID 75413353) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide
PubChem CID75413353
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C13H11N5O2S/c1-2-9-11(21-17-15-9)12(19)16-18-7-14-10-6-4-3-5-8(10)13(18)20/h3-7H,2H2,1H3,(H,16,19)
InChIKeyLCTXLCYITJAPDE-UHFFFAOYSA-N
XLogP1.19
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-oxoquinazolin-3-yl)pentanamide
CID 27757903
4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
CID 3691109
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061354
N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
CID 46522979
1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide
CID 166206906
N-(4-oxoquinazolin-3-yl)-2-(4-phenylphenyl)acetamide
CID 26181771
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061353
4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 39516489
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
CID 34815435
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide
CID 26181761
4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
CID 39966669

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide (CID 75413353) is 4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide?
The InChIKey is LCTXLCYITJAPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-2-9-11(21-17-15-9)12(19)16-18-7-14-10-6-4-3-5-8(10)13(18)20/h3-7H,2H2,1H3,(H,16,19).
What are the key properties of 4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide?
4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 75413353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).