6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

C13H10N6O3S2 — CID 68939231

IUPAC6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(Cn3cnc4ccccc4c3=O)nc2s1
InChIInChI=1S/C13H10N6O3S2/c14-24(21,22)13-17-19-6-8(16-12(19)23-13)5-18-7-15-10-4-2-1-3-9(10)11(18)20/h1-4,6-7H,5H2,(H2,14,21,22)
InChIKeyZLMICMWUBOCKJD-UHFFFAOYSA-N
MW362.40 g/mol
LogP0.20
Rot. Bonds3

About 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 68939231) has the molecular formula C13H10N6O3S2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID68939231
Molecular FormulaC13H10N6O3S2
Molecular Weight362.40 g/mol
Exact Mass362.03
IUPAC Name6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(Cn3cnc4ccccc4c3=O)nc2s1
InChIInChI=1S/C13H10N6O3S2/c14-24(21,22)13-17-19-6-8(16-12(19)23-13)5-18-7-15-10-4-2-1-3-9(10)11(18)20/h1-4,6-7H,5H2,(H2,14,21,22)
InChIKeyZLMICMWUBOCKJD-UHFFFAOYSA-N
XLogP0.20
TPSA125.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide with MolForge

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Related Compounds

3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7628275
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
CID 79765160
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
CID 62886832
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 17483318
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124

Frequently Asked Questions

What is the IUPAC name of 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 68939231) is 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is NS(=O)(=O)c1nn2cc(Cn3cnc4ccccc4c3=O)nc2s1.
What is the InChIKey of 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is ZLMICMWUBOCKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O3S2/c14-24(21,22)13-17-19-6-8(16-12(19)23-13)5-18-7-15-10-4-2-1-3-9(10)11(18)20/h1-4,6-7H,5H2,(H2,14,21,22).
What are the key properties of 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 362.40 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 68939231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).