3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide

C15H18N4OS — CID 89158009

IUPAC3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CCC(N)C1
InChIInChI=1S/C15H18N4OS/c16-11-5-6-19(9-11)15(20)18-13-8-10(3-4-12(13)17)14-2-1-7-21-14/h1-4,7-8,11H,5-6,9,16-17H2,(H,18,20)
InChIKeyDHHLRKMUVLWMGG-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.56
Rot. Bonds2

About 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide

3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 89158009) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID89158009
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CCC(N)C1
InChIInChI=1S/C15H18N4OS/c16-11-5-6-19(9-11)15(20)18-13-8-10(3-4-12(13)17)14-2-1-7-21-14/h1-4,7-8,11H,5-6,9,16-17H2,(H,18,20)
InChIKeyDHHLRKMUVLWMGG-UHFFFAOYSA-N
XLogP2.56
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide
CID 71465922
(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
CID 71465770
1-(2-amino-5-thiophen-2-ylphenyl)-3-pyrrolidin-3-ylurea
CID 89157853
N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 69101347
4-[(3-acetamidopyrrolidin-1-yl)methyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 69100695
4-[[(3S)-3-acetamidopyrrolidin-1-yl]methyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 25068817
(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide
CID 59737518
N-(2-amino-5-thiophen-2-ylphenyl)-2-oxaspiro[3.3]heptane-6-carboxamide
CID 89183122
cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
CID 175831101
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]benzamide
CID 69101017
(2-amino-5-thiophen-2-ylanilino)-(7-azabicyclo[2.2.1]heptan-7-yl)methanol
CID 163460408
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 24783185

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide (CID 89158009) is 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)N1CCC(N)C1.
What is the InChIKey of 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is DHHLRKMUVLWMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-11-5-6-19(9-11)15(20)18-13-8-10(3-4-12(13)17)14-2-1-7-21-14/h1-4,7-8,11H,5-6,9,16-17H2,(H,18,20).
What are the key properties of 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 89158009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).