N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C13H11F3N2O2S2 — CID 90860650

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCc1nc(C(C)NC(=O)c2ccc(C(=O)C(F)(F)F)s2)cs1
InChIInChI=1S/C13H11F3N2O2S2/c1-6(8-5-21-7(2)18-8)17-12(20)10-4-3-9(22-10)11(19)13(14,15)16/h3-6H,1-2H3,(H,17,20)
InChIKeyGUZCUNIUJKYXRS-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 90860650) has the molecular formula C13H11F3N2O2S2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID90860650
Molecular FormulaC13H11F3N2O2S2
Molecular Weight348.37 g/mol
Exact Mass348.02
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCc1nc(C(C)NC(=O)c2ccc(C(=O)C(F)(F)F)s2)cs1
InChIInChI=1S/C13H11F3N2O2S2/c1-6(8-5-21-7(2)18-8)17-12(20)10-4-3-9(22-10)11(19)13(14,15)16/h3-6H,1-2H3,(H,17,20)
InChIKeyGUZCUNIUJKYXRS-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 90860650) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is Cc1nc(C(C)NC(=O)c2ccc(C(=O)C(F)(F)F)s2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is GUZCUNIUJKYXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S2/c1-6(8-5-21-7(2)18-8)17-12(20)10-4-3-9(22-10)11(19)13(14,15)16/h3-6H,1-2H3,(H,17,20).
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 90860650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).