N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C17H21N3O4S2 — CID 45213273

IUPACN-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(NCCOCCO)c1ccc(C2CCCN2C(=O)c2cscn2)s1
InChIInChI=1S/C17H21N3O4S2/c21-7-9-24-8-5-18-16(22)15-4-3-14(26-15)13-2-1-6-20(13)17(23)12-10-25-11-19-12/h3-4,10-11,13,21H,1-2,5-9H2,(H,18,22)
InChIKeySAVQTWVEDGZWCN-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.92
Rot. Bonds8

About N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45213273) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45213273
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(NCCOCCO)c1ccc(C2CCCN2C(=O)c2cscn2)s1
InChIInChI=1S/C17H21N3O4S2/c21-7-9-24-8-5-18-16(22)15-4-3-14(26-15)13-2-1-6-20(13)17(23)12-10-25-11-19-12/h3-4,10-11,13,21H,1-2,5-9H2,(H,18,22)
InChIKeySAVQTWVEDGZWCN-UHFFFAOYSA-N
XLogP1.92
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63024249
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 29056960
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 141115735
N-[[6-[(2R)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839584
5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 45190874
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45213273) is N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is O=C(NCCOCCO)c1ccc(C2CCCN2C(=O)c2cscn2)s1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is SAVQTWVEDGZWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c21-7-9-24-8-5-18-16(22)15-4-3-14(26-15)13-2-1-6-20(13)17(23)12-10-25-11-19-12/h3-4,10-11,13,21H,1-2,5-9H2,(H,18,22).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45213273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).