N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide

C23H23N5O2S — CID 46507398

IUPACN-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
SMILESCC1CCC(NC(=O)c2cccc(Nc3nn4c(=O)c5ccccc5nc4s3)c2)CC1
InChIInChI=1S/C23H23N5O2S/c1-14-9-11-16(12-10-14)24-20(29)15-5-4-6-17(13-15)25-22-27-28-21(30)18-7-2-3-8-19(18)26-23(28)31-22/h2-8,13-14,16H,9-12H2,1H3,(H,24,29)(H,25,27)
InChIKeySMLPHBCXSICLAN-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.36
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide

N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide (PubChem CID 46507398) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
PubChem CID46507398
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
SMILESCC1CCC(NC(=O)c2cccc(Nc3nn4c(=O)c5ccccc5nc4s3)c2)CC1
InChIInChI=1S/C23H23N5O2S/c1-14-9-11-16(12-10-14)24-20(29)15-5-4-6-17(13-15)25-22-27-28-21(30)18-7-2-3-8-19(18)26-23(28)31-22/h2-8,13-14,16H,9-12H2,1H3,(H,24,29)(H,25,27)
InChIKeySMLPHBCXSICLAN-UHFFFAOYSA-N
XLogP4.36
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide with MolForge

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Related Compounds

N-(2-methylpropyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
CID 50762138
3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 50762078
N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917984
N-(2-acetamidoethyl)-2-anilino-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 18592760
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide
CID 134057675
8-fluoro-2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 53209795
N-cyclopropyl-3-[[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 46668571
N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17494544
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 50946478

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide (CID 46507398) is N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide is CC1CCC(NC(=O)c2cccc(Nc3nn4c(=O)c5ccccc5nc4s3)c2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide?
The InChIKey is SMLPHBCXSICLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-9-11-16(12-10-14)24-20(29)15-5-4-6-17(13-15)25-22-27-28-21(30)18-7-2-3-8-19(18)26-23(28)31-22/h2-8,13-14,16H,9-12H2,1H3,(H,24,29)(H,25,27).
What are the key properties of N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide?
N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide has a molecular weight of 433.54 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 46507398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).