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

C14H11FN2OS — CID 63799848

IUPAC3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H11FN2OS/c15-11-4-1-5-12(9-11)17-14(18)13-10(3-2-7-16)6-8-19-13/h1,4-6,8-9H,7,16H2,(H,17,18)
InChIKeyZYFRQXLIVDLQPU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.45
Rot. Bonds2

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

3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide (PubChem CID 63799848) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide
PubChem CID63799848
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H11FN2OS/c15-11-4-1-5-12(9-11)17-14(18)13-10(3-2-7-16)6-8-19-13/h1,4-6,8-9H,7,16H2,(H,17,18)
InChIKeyZYFRQXLIVDLQPU-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

3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide
CID 63799155
3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
CID 114840612
3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide
CID 63801072
3-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylthiophene-2-carboxamide
CID 63801441
N-(3,5-difluorophenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63796739
3-(3-aminoprop-1-ynyl)-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
CID 82860765
N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63798841
N-(3-fluoro-5-methylphenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 79046243
3-(3-aminoprop-1-ynyl)-N-(2,2-difluoroethyl)thiophene-2-carboxamide
CID 115408372
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 55239746
5-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)-2-methylbenzamide
CID 65310829
N-(3-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63797802

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide (CID 63799848) is 3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide is NCC#Cc1ccsc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is ZYFRQXLIVDLQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-11-4-1-5-12(9-11)17-14(18)13-10(3-2-7-16)6-8-19-13/h1,4-6,8-9H,7,16H2,(H,17,18).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(3-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 3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 63799848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).