[2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone

C14H22N4OS — CID 166306966

IUPAC[2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCCNc1nc(C(=O)N2CC3CCCC(C2)N3C)cs1
InChIInChI=1S/C14H22N4OS/c1-3-15-14-16-12(9-20-14)13(19)18-7-10-5-4-6-11(8-18)17(10)2/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyXHFFJUWLRPWHPO-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.88
Rot. Bonds3

About [2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone

[2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 166306966) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is [2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID166306966
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name[2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCCNc1nc(C(=O)N2CC3CCCC(C2)N3C)cs1
InChIInChI=1S/C14H22N4OS/c1-3-15-14-16-12(9-20-14)13(19)18-7-10-5-4-6-11(8-18)17(10)2/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyXHFFJUWLRPWHPO-UHFFFAOYSA-N
XLogP1.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 164632570
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 136582996
1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
CID 136516092
N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 106671767
2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
CID 130709348
(1S,5R)-3-[2-(methylamino)-1,3-thiazole-4-carbonyl]-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70747621
[2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
CID 97099997
[5-(ethylamino)pyrazin-2-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107376098
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876814
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
[2-(methylamino)-1,3-thiazol-4-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70745608
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of [2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone (CID 166306966) is [2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for [2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone is CCNc1nc(C(=O)N2CC3CCCC(C2)N3C)cs1.
What is the InChIKey of [2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is XHFFJUWLRPWHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-3-15-14-16-12(9-20-14)13(19)18-7-10-5-4-6-11(8-18)17(10)2/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of [2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone?
[2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 166306966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).