ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine

C26H42N4O2S — CID 142464684

IUPACethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine
SMILESCC.CNCC(C)(C)C.Cc1ncsc1-c1ccc(C(C)NC(=O)C2CCCN2C=O)cc1
InChIInChI=1S/C18H21N3O2S.C6H15N.C2H6/c1-12(20-18(23)16-4-3-9-21(16)11-22)14-5-7-15(8-6-14)17-13(2)19-10-24-17;1-6(2,3)5-7-4;1-2/h5-8,10-12,16H,3-4,9H2,1-2H3,(H,20,23);7H,5H2,1-4H3;1-2H3
InChIKeyYWWCKCXGGCVZNV-UHFFFAOYSA-N
MW474.72 g/mol
LogP5.19
Rot. Bonds6

About ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine

ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine (PubChem CID 142464684) has the molecular formula C26H42N4O2S and a molecular weight of 474.72 g/mol. Its IUPAC name is ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Nameethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine
PubChem CID142464684
Molecular FormulaC26H42N4O2S
Molecular Weight474.72 g/mol
Exact Mass474.30
IUPAC Nameethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine
SMILESCC.CNCC(C)(C)C.Cc1ncsc1-c1ccc(C(C)NC(=O)C2CCCN2C=O)cc1
InChIInChI=1S/C18H21N3O2S.C6H15N.C2H6/c1-12(20-18(23)16-4-3-9-21(16)11-22)14-5-7-15(8-6-14)17-13(2)19-10-24-17;1-6(2,3)5-7-4;1-2/h5-8,10-12,16H,3-4,9H2,1-2H3,(H,20,23);7H,5H2,1-4H3;1-2H3
InChIKeyYWWCKCXGGCVZNV-UHFFFAOYSA-N
XLogP5.19
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.72
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine 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

2,2-dimethylpropan-1-amine;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 142464569
(2S)-1-(3,3-dimethylbutanoyl)-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166535505
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166996489
1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid
CID 175799858
1-[2-(6-formamidohexanoylamino)-3,3-dimethylbutanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166823471
(2S,4S)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 155188741
(2S)-1-[(2S)-3,3-dimethyl-2-[[2-(4-nitrosopiperidin-1-yl)acetyl]amino]butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170244647
(2S)-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 167039374
N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine
CID 142464595
1-[2-[3-(1-formylazetidin-3-yl)oxy-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170049149
(2S)-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[2-(1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 156729153
1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 163393014

Frequently Asked Questions

What is the IUPAC name of ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine?
The IUPAC name of ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine (CID 142464684) is ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine?
The canonical SMILES for ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine is CC.CNCC(C)(C)C.Cc1ncsc1-c1ccc(C(C)NC(=O)C2CCCN2C=O)cc1.
What is the InChIKey of ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine?
The InChIKey is YWWCKCXGGCVZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.C6H15N.C2H6/c1-12(20-18(23)16-4-3-9-21(16)11-22)14-5-7-15(8-6-14)17-13(2)19-10-24-17;1-6(2,3)5-7-4;1-2/h5-8,10-12,16H,3-4,9H2,1-2H3,(H,20,23);7H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine?
ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine has a molecular weight of 474.72 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 142464684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).