4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole

C17H22N2O2S — CID 155992598

IUPAC4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCOC1(COc2ccccc2C)CCN(Cc2cscn2)C1
InChIInChI=1S/C17H22N2O2S/c1-14-5-3-4-6-16(14)21-12-17(20-2)7-8-19(11-17)9-15-10-22-13-18-15/h3-6,10,13H,7-9,11-12H2,1-2H3
InChIKeyRMQUJHXDZYUKAL-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.12
Rot. Bonds6

About 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole

4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 155992598) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID155992598
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCOC1(COc2ccccc2C)CCN(Cc2cscn2)C1
InChIInChI=1S/C17H22N2O2S/c1-14-5-3-4-6-16(14)21-12-17(20-2)7-8-19(11-17)9-15-10-22-13-18-15/h3-6,10,13H,7-9,11-12H2,1-2H3
InChIKeyRMQUJHXDZYUKAL-UHFFFAOYSA-N
XLogP3.12
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 132764030
4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine
CID 163258541
4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488154
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 128973495
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol
CID 132775918
3-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 106984198
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107322197
4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 136537455
4-[[4-[(2-fluorophenoxy)methyl]-4-methoxyazepan-1-yl]methyl]phenol
CID 132777670
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
CID 97110053

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 155992598) is 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole is COC1(COc2ccccc2C)CCN(Cc2cscn2)C1.
What is the InChIKey of 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is RMQUJHXDZYUKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-14-5-3-4-6-16(14)21-12-17(20-2)7-8-19(11-17)9-15-10-22-13-18-15/h3-6,10,13H,7-9,11-12H2,1-2H3.
What are the key properties of 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 318.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 155992598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).