[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

C16H26N2O2S — CID 136514652

IUPAC[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)COC1CCN(C(=O)c2csc(CC(C)C)n2)C1
InChIInChI=1S/C16H26N2O2S/c1-11(2)7-15-17-14(10-21-15)16(19)18-6-5-13(8-18)20-9-12(3)4/h10-13H,5-9H2,1-4H3
InChIKeyZRIJQTUMONZZSJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.23
Rot. Bonds6

About [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (PubChem CID 136514652) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
PubChem CID136514652
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)COC1CCN(C(=O)c2csc(CC(C)C)n2)C1
InChIInChI=1S/C16H26N2O2S/c1-11(2)7-15-17-14(10-21-15)16(19)18-6-5-13(8-18)20-9-12(3)4/h10-13H,5-9H2,1-4H3
InChIKeyZRIJQTUMONZZSJ-UHFFFAOYSA-N
XLogP3.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone 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

1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355020
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
5-methyl-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117781
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069
[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 132971390
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone
CID 66375737
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]methanone;dihydrochloride
CID 120647544
(2R)-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371872
(3S,4S)-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950781
(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119163703
2-[methyl-[[(2S)-4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
CID 129475590
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (CID 136514652) is [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is CC(C)COC1CCN(C(=O)c2csc(CC(C)C)n2)C1.
What is the InChIKey of [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is ZRIJQTUMONZZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11(2)7-15-17-14(10-21-15)16(19)18-6-5-13(8-18)20-9-12(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 310.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 136514652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).