methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal

C23H35N3O3S — CID 177181837

IUPACmethanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal
SMILESCCCCC=O.CO.Cc1ncsc1-c1ccc(CNC(=O)C2CCCN2C)cc1
InChIInChI=1S/C17H21N3OS.C5H10O.CH4O/c1-12-16(22-11-19-12)14-7-5-13(6-8-14)10-18-17(21)15-4-3-9-20(15)2;1-2-3-4-5-6;1-2/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,18,21);5H,2-4H2,1H3;2H,1H3
InChIKeyAEGCVFYHVFCZHF-UHFFFAOYSA-N
MW433.62 g/mol
LogP3.81
Rot. Bonds7

About methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal

methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal (PubChem CID 177181837) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal.

Molecular Properties

Compound Namemethanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal
PubChem CID177181837
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC Namemethanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal
SMILESCCCCC=O.CO.Cc1ncsc1-c1ccc(CNC(=O)C2CCCN2C)cc1
InChIInChI=1S/C17H21N3OS.C5H10O.CH4O/c1-12-16(22-11-19-12)14-7-5-13(6-8-14)10-18-17(21)15-4-3-9-20(15)2;1-2-3-4-5-6;1-2/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,18,21);5H,2-4H2,1H3;2H,1H3
InChIKeyAEGCVFYHVFCZHF-UHFFFAOYSA-N
XLogP3.81
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal 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-formamidoacetyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146519093
1-(2-aminoacetyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 177181720
1-(2,3-dimethylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;ethane
CID 176987930
(2S)-1-(2-cyclopentylpropanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146358234
5-[2-[3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-3-oxopropoxy]ethoxy]pentoxy thiohypoiodite;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 142390066
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;ethane
CID 142390530
1-(3,3-dimethylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;methanamine;methane
CID 170703708
(2S)-1-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146358192
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 123596554
(2S)-1-(3,3-dimethylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propan-2-amine;yttrium
CID 170703865
1-formyl-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 142596813
3-formyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1,3-oxazolidine-4-carboxamide
CID 170578120

Frequently Asked Questions

What is the IUPAC name of methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal?
The IUPAC name of methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal (CID 177181837) is methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal.
What is the SMILES notation for methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal?
The canonical SMILES for methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal is CCCCC=O.CO.Cc1ncsc1-c1ccc(CNC(=O)C2CCCN2C)cc1.
What is the InChIKey of methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal?
The InChIKey is AEGCVFYHVFCZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.C5H10O.CH4O/c1-12-16(22-11-19-12)14-7-5-13(6-8-14)10-18-17(21)15-4-3-9-20(15)2;1-2-3-4-5-6;1-2/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,18,21);5H,2-4H2,1H3;2H,1H3.
What are the key properties of methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal?
methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal has a molecular weight of 433.62 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;pentanal is sourced from PubChem (CID 177181837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).