1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate

C24H33N3O4S — CID 140681860

IUPAC1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate
SMILESCOCCOc1ccc(-c2nc(C(C)(C)NC(=O)OC3CCN4CCC3CC4)cs2)cc1
InChIInChI=1S/C24H33N3O4S/c1-24(2,26-23(28)31-20-10-13-27-11-8-17(20)9-12-27)21-16-32-22(25-21)18-4-6-19(7-5-18)30-15-14-29-3/h4-7,16-17,20H,8-15H2,1-3H3,(H,26,28)
InChIKeyCEROKRDOULFXPC-UHFFFAOYSA-N
MW459.61 g/mol
LogP4.28
Rot. Bonds8

About 1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate

1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate (PubChem CID 140681860) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Name1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate
PubChem CID140681860
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate
SMILESCOCCOc1ccc(-c2nc(C(C)(C)NC(=O)OC3CCN4CCC3CC4)cs2)cc1
InChIInChI=1S/C24H33N3O4S/c1-24(2,26-23(28)31-20-10-13-27-11-8-17(20)9-12-27)21-16-32-22(25-21)18-4-6-19(7-5-18)30-15-14-29-3/h4-7,16-17,20H,8-15H2,1-3H3,(H,26,28)
InChIKeyCEROKRDOULFXPC-UHFFFAOYSA-N
XLogP4.28
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(S)-benzyl 1-(2-(4-(2-(dimethylamino)ethoxy)phenyl)thiazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 25217513
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CID 172448450
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 4826067
2-(4-Ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole
CID 7998816
tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate
CID 146512252
1-azabicyclo[2.2.2]octan-3-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate
CID 90047826
1-azabicyclo[2.2.2]octan-3-yl N-[2-[2-[4-(3-methoxypropoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate
CID 134229362
Tert-butyl 4-[2-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-1,3-thiazol-4-yl]piperidine-1-carboxylate
CID 167743335
1-[4-({[(2-Isopropyl-1,3-thiazol-4-yl)methyl]amino}methyl)phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol
CID 45225674
4-(Piperidin-1-ylmethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole
CID 11857749
4-(Azepan-1-ylmethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole
CID 11857825
2-[4-[3-(2-Methylpyrrolidin-1-yl)propoxy]phenyl]-4-(piperidin-1-ylmethyl)-1,3-thiazole
CID 11857826

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate?
The IUPAC name of 1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate (CID 140681860) is 1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate.
What is the SMILES notation for 1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate?
The canonical SMILES for 1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate is COCCOc1ccc(-c2nc(C(C)(C)NC(=O)OC3CCN4CCC3CC4)cs2)cc1.
What is the InChIKey of 1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate?
The InChIKey is CEROKRDOULFXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-24(2,26-23(28)31-20-10-13-27-11-8-17(20)9-12-27)21-16-32-22(25-21)18-4-6-19(7-5-18)30-15-14-29-3/h4-7,16-17,20H,8-15H2,1-3H3,(H,26,28).
What are the key properties of 1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate?
1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate has a molecular weight of 459.61 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.2]nonan-4-yl N-[2-[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]propan-2-yl]carbamate is sourced from PubChem (CID 140681860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).