4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C12H17F3N2OS — CID 61108496

IUPAC4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC(C)C)CC(F)(F)F)cc1N
InChIInChI=1S/C12H17F3N2OS/c1-7(2)5-17(6-12(13,14)15)11(18)10-4-9(16)8(3)19-10/h4,7H,5-6,16H2,1-3H3
InChIKeyBVIUXAPAPIJKKG-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.30
Rot. Bonds4

About 4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61108496) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61108496
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC(C)C)CC(F)(F)F)cc1N
InChIInChI=1S/C12H17F3N2OS/c1-7(2)5-17(6-12(13,14)15)11(18)10-4-9(16)8(3)19-10/h4,7H,5-6,16H2,1-3H3
InChIKeyBVIUXAPAPIJKKG-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61108496) is 4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1sc(C(=O)N(CC(C)C)CC(F)(F)F)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is BVIUXAPAPIJKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-7(2)5-17(6-12(13,14)15)11(18)10-4-9(16)8(3)19-10/h4,7H,5-6,16H2,1-3H3.
What are the key properties of 4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61108496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).