[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone

C18H22N2O2S — CID 77087483

IUPAC[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCOc1ccccc1C1CCCN1C(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C18H22N2O2S/c1-12(2)14-11-23-17(19-14)18(21)20-10-6-8-15(20)13-7-4-5-9-16(13)22-3/h4-5,7,9,11-12,15H,6,8,10H2,1-3H3
InChIKeyBALSZVISTMFHII-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.25
Rot. Bonds4

About [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone

[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone (PubChem CID 77087483) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
PubChem CID77087483
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCOc1ccccc1C1CCCN1C(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C18H22N2O2S/c1-12(2)14-11-23-17(19-14)18(21)20-10-6-8-15(20)13-7-4-5-9-16(13)22-3/h4-5,7,9,11-12,15H,6,8,10H2,1-3H3
InChIKeyBALSZVISTMFHII-UHFFFAOYSA-N
XLogP4.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120500295
(1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42377969
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524
[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 95249563
[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42512545
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119771470
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 166188039
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118763003

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone (CID 77087483) is [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone is COc1ccccc1C1CCCN1C(=O)c1nc(C(C)C)cs1.
What is the InChIKey of [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The InChIKey is BALSZVISTMFHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12(2)14-11-23-17(19-14)18(21)20-10-6-8-15(20)13-7-4-5-9-16(13)22-3/h4-5,7,9,11-12,15H,6,8,10H2,1-3H3.
What are the key properties of [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone has a molecular weight of 330.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 77087483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).