3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide

C14H10F2N2OS — CID 63799155

IUPAC3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N2OS/c15-11-4-3-10(8-12(11)16)18-14(19)13-9(2-1-6-17)5-7-20-13/h3-5,7-8H,6,17H2,(H,18,19)
InChIKeyMVOCVUSVJPWGLO-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.59
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide (PubChem CID 63799155) has the molecular formula C14H10F2N2OS and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide
PubChem CID63799155
Molecular FormulaC14H10F2N2OS
Molecular Weight292.31 g/mol
Exact Mass292.05
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N2OS/c15-11-4-3-10(8-12(11)16)18-14(19)13-9(2-1-6-17)5-7-20-13/h3-5,7-8H,6,17H2,(H,18,19)
InChIKeyMVOCVUSVJPWGLO-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.59
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-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
CID 114840612
3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 63799848
3-(3-aminoprop-1-ynyl)-N-(3-chloro-5-fluorophenyl)thiophene-2-carboxamide
CID 107370246
N-(3-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63797802
N-(4-fluoro-3-methoxyphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 114840609
3-(3-aminoprop-1-ynyl)-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
CID 82860765
5-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-3-carboxamide
CID 79696592
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
3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 63800911
N-(4-carbamoylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63797944
3-(3-aminoprop-1-ynyl)-N-(2,2-difluoroethyl)thiophene-2-carboxamide
CID 115408372

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide (CID 63799155) is 3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide is NCC#Cc1ccsc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide?
The InChIKey is MVOCVUSVJPWGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2OS/c15-11-4-3-10(8-12(11)16)18-14(19)13-9(2-1-6-17)5-7-20-13/h3-5,7-8H,6,17H2,(H,18,19).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 2.59, 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-(3,4-difluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 63799155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).