N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide

C14H11FN2OS — CID 60813557

IUPACN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide
SMILESNCC#Cc1cc(F)ccc1NC(=O)c1cccs1
InChIInChI=1S/C14H11FN2OS/c15-11-5-6-12(10(9-11)3-1-7-16)17-14(18)13-4-2-8-19-13/h2,4-6,8-9H,7,16H2,(H,17,18)
InChIKeySLIXTTQIQSBDLO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.45
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide (PubChem CID 60813557) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide
PubChem CID60813557
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide
SMILESNCC#Cc1cc(F)ccc1NC(=O)c1cccs1
InChIInChI=1S/C14H11FN2OS/c15-11-5-6-12(10(9-11)3-1-7-16)17-14(18)13-4-2-8-19-13/h2,4-6,8-9H,7,16H2,(H,17,18)
InChIKeySLIXTTQIQSBDLO-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 54923009
methyl N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]carbamate
CID 60814781
N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938543
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 60814903
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 60812729
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide
CID 63850539
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]cycloheptanecarboxamide
CID 62589276
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016183
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide
CID 60814898
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209955
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chlorothiophene-2-carboxamide
CID 81270986

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide (CID 60813557) is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide is NCC#Cc1cc(F)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide?
The InChIKey is SLIXTTQIQSBDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-11-5-6-12(10(9-11)3-1-7-16)17-14(18)13-4-2-8-19-13/h2,4-6,8-9H,7,16H2,(H,17,18).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60813557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).