3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide

C12H11F3N2OS — CID 106217855

IUPAC3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)11(4-5-11)17-10(18)9-8(2-1-6-16)3-7-19-9/h3,7H,4-6,16H2,(H,17,18)
InChIKeyXVRJMTBVZHJZMG-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.88
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide (PubChem CID 106217855) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide
PubChem CID106217855
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)11(4-5-11)17-10(18)9-8(2-1-6-16)3-7-19-9/h3,7H,4-6,16H2,(H,17,18)
InChIKeyXVRJMTBVZHJZMG-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.88
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-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 63799364
3-(3-aminoprop-1-ynyl)-N-(2,2-difluoroethyl)thiophene-2-carboxamide
CID 115408372
N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)thiophene-2-carboxamide
CID 63800896
3-(3-aminoprop-1-ynyl)-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63799843
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylpropan-2-yl)thiophene-2-carboxamide
CID 114112039
3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide
CID 63801612
3-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylthiophene-2-carboxamide
CID 63801441
3-(3-aminoprop-1-ynyl)-N-butylthiophene-2-carboxamide
CID 63800208
3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide
CID 63799155
3-(3-aminoprop-1-ynyl)-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 63801608
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 63798987
3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 63799848

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide (CID 106217855) is 3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide is NCC#Cc1ccsc1C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide?
The InChIKey is XVRJMTBVZHJZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-12(14,15)11(4-5-11)17-10(18)9-8(2-1-6-16)3-7-19-9/h3,7H,4-6,16H2,(H,17,18).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide has a molecular weight of 288.29 g/mol, XLogP of 1.88, 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-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 106217855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).