3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide

C13H19N5OS — CID 103509920

IUPAC3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCCc2cn[nH]c2C)cc1N
InChIInChI=1S/C13H19N5OS/c1-8-9(7-17-18-8)4-3-5-16-11-6-10(14)12(20-11)13(19)15-2/h6-7,16H,3-5,14H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWUMKDVMIYBDOAL-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.77
Rot. Bonds6

About 3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide

3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide (PubChem CID 103509920) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide
PubChem CID103509920
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCCc2cn[nH]c2C)cc1N
InChIInChI=1S/C13H19N5OS/c1-8-9(7-17-18-8)4-3-5-16-11-6-10(14)12(20-11)13(19)15-2/h6-7,16H,3-5,14H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWUMKDVMIYBDOAL-UHFFFAOYSA-N
XLogP1.77
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxylate
CID 103509921
3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505964
2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591
2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid
CID 80571471
2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040874
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507
3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 81094396
5-amino-2-bromo-4-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62815798
2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 62041099
3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424129
5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine
CID 62040677
4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 79465562

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide (CID 103509920) is 3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide is CNC(=O)c1sc(NCCCc2cn[nH]c2C)cc1N.
What is the InChIKey of 3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide?
The InChIKey is WUMKDVMIYBDOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8-9(7-17-18-8)4-3-5-16-11-6-10(14)12(20-11)13(19)15-2/h6-7,16H,3-5,14H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide?
3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103509920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).