1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone

C19H20N6OS — CID 159928967

IUPAC1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)N4C[C@@H]5C[C@H]4CN5C)nc3c2)s1
InChIInChI=1S/C19H20N6OS/c1-11-22-23-19(27-11)12-3-4-13-8-20-17(21-16(13)5-12)7-18(26)25-10-14-6-15(25)9-24(14)2/h3-5,8,14-15H,6-7,9-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyNZJSKTPBTXQLHK-GJZGRUSLSA-N
MW380.48 g/mol
LogP1.91
Rot. Bonds3

About 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone

1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone (PubChem CID 159928967) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
PubChem CID159928967
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)N4C[C@@H]5C[C@H]4CN5C)nc3c2)s1
InChIInChI=1S/C19H20N6OS/c1-11-22-23-19(27-11)12-3-4-13-8-20-17(21-16(13)5-12)7-18(26)25-10-14-6-15(25)9-24(14)2/h3-5,8,14-15H,6-7,9-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyNZJSKTPBTXQLHK-GJZGRUSLSA-N
XLogP1.91
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone with MolForge

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Related Compounds

(1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 138588528
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
CID 162118784
(5S)-3-amino-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138604908
2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide
CID 138589269
3-(1,3-difluoropropan-2-ylamino)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138604882
2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone
CID 159565565
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
CID 146892193
formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
CID 69489262
(5S)-3-(2,2-difluoroethylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138580214
2-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone
CID 159853462
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2,3,5,6-tetradeuterio-4-methylphenyl)ethanone
CID 160792121
4-(2-fluoroethylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559228

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone?
The IUPAC name of 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone (CID 159928967) is 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone.
What is the SMILES notation for 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone?
The canonical SMILES for 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone is Cc1nnc(-c2ccc3cnc(CC(=O)N4C[C@@H]5C[C@H]4CN5C)nc3c2)s1.
What is the InChIKey of 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone?
The InChIKey is NZJSKTPBTXQLHK-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-11-22-23-19(27-11)12-3-4-13-8-20-17(21-16(13)5-12)7-18(26)25-10-14-6-15(25)9-24(14)2/h3-5,8,14-15H,6-7,9-10H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone?
1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone has a molecular weight of 380.48 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone is sourced from PubChem (CID 159928967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).