5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide

C15H18N4OS — CID 106106229

IUPAC5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCc2ccn(C)n2)sc1C#CCN
InChIInChI=1S/C15H18N4OS/c1-11-10-14(21-13(11)4-3-7-16)15(20)17-8-5-12-6-9-19(2)18-12/h6,9-10H,5,7-8,16H2,1-2H3,(H,17,20)
InChIKeyJIVHLNRGJATFRC-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.07
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 106106229) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID106106229
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCc2ccn(C)n2)sc1C#CCN
InChIInChI=1S/C15H18N4OS/c1-11-10-14(21-13(11)4-3-7-16)15(20)17-8-5-12-6-9-19(2)18-12/h6,9-10H,5,7-8,16H2,1-2H3,(H,17,20)
InChIKeyJIVHLNRGJATFRC-UHFFFAOYSA-N
XLogP1.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 79990488
5-(3-aminoprop-1-ynyl)-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 79990588
5-(3-aminoprop-1-ynyl)-N-(4-methoxybutyl)-4-methylthiophene-2-carboxamide
CID 79990221
ethyl 3-[[5-(3-aminoprop-1-ynyl)-4-methylthiophene-2-carbonyl]amino]propanoate
CID 79990765
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide
CID 79990142
5-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106106166
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)-4-methylthiophene-2-carboxamide
CID 79990485
5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide
CID 107464484
5-(3-aminoprop-1-ynyl)-N-(2,2-dicyclopropylethyl)-4-methylthiophene-2-carboxamide
CID 79998554
5-(3-aminoprop-1-ynyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylthiophene-2-carboxamide
CID 79998550
5-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylthiophene-2-carboxamide
CID 79976618
5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide
CID 104764946

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide (CID 106106229) is 5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide is Cc1cc(C(=O)NCCc2ccn(C)n2)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is JIVHLNRGJATFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-10-14(21-13(11)4-3-7-16)15(20)17-8-5-12-6-9-19(2)18-12/h6,9-10H,5,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 106106229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).