4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide

C9H11F3N2OS — CID 63228558

IUPAC4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2OS/c1-5-6(13)4-7(16-5)8(15)14-3-2-9(10,11)12/h4H,2-3,13H2,1H3,(H,14,15)
InChIKeyDLFRUXQAFJIJAY-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.32
Rot. Bonds3

About 4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide

4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide (PubChem CID 63228558) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
PubChem CID63228558
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2OS/c1-5-6(13)4-7(16-5)8(15)14-3-2-9(10,11)12/h4H,2-3,13H2,1H3,(H,14,15)
InChIKeyDLFRUXQAFJIJAY-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide (CID 63228558) is 4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide is Cc1sc(C(=O)NCCC(F)(F)F)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The InChIKey is DLFRUXQAFJIJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-5-6(13)4-7(16-5)8(15)14-3-2-9(10,11)12/h4H,2-3,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide has a molecular weight of 252.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide is sourced from PubChem (CID 63228558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).