N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide

C15H12N6O2S — CID 91772701

IUPACN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCC(NC(=O)c1nc(=O)[nH]c2ccccc12)c1cn2ncsc2n1
InChIInChI=1S/C15H12N6O2S/c1-8(11-6-21-15(19-11)24-7-16-21)17-13(22)12-9-4-2-3-5-10(9)18-14(23)20-12/h2-8H,1H3,(H,17,22)(H,18,20,23)
InChIKeyADGAQMYFBDDPDT-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.52
Rot. Bonds3

About N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide

N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 91772701) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID91772701
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC NameN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCC(NC(=O)c1nc(=O)[nH]c2ccccc12)c1cn2ncsc2n1
InChIInChI=1S/C15H12N6O2S/c1-8(11-6-21-15(19-11)24-7-16-21)17-13(22)12-9-4-2-3-5-10(9)18-14(23)20-12/h2-8H,1H3,(H,17,22)(H,18,20,23)
InChIKeyADGAQMYFBDDPDT-UHFFFAOYSA-N
XLogP1.52
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide with MolForge

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Related Compounds

N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide
CID 91765837
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 91797778
N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702557
3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91838300
N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97145627
2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide
CID 119062039
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 70753994
methyl 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylpropanoate
CID 67420161
2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide
CID 110702484
N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702604
N-(2-fluorophenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702579
N-cyclopentyl-2-oxo-1H-quinazoline-4-carboxamide
CID 110702489

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide (CID 91772701) is N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide is CC(NC(=O)c1nc(=O)[nH]c2ccccc12)c1cn2ncsc2n1.
What is the InChIKey of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is ADGAQMYFBDDPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c1-8(11-6-21-15(19-11)24-7-16-21)17-13(22)12-9-4-2-3-5-10(9)18-14(23)20-12/h2-8H,1H3,(H,17,22)(H,18,20,23).
What are the key properties of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide?
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 91772701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).