3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide

C11H14F3N3O2S — CID 103425826

IUPAC3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
SMILESCOc1c(NCC(F)(F)F)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C11H14F3N3O2S/c1-19-7-6(15)8(9(18)17-5-2-3-5)20-10(7)16-4-11(12,13)14/h5,16H,2-4,15H2,1H3,(H,17,18)
InChIKeyYUQUHZLXDYCKEO-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.21
Rot. Bonds5

About 3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide

3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide (PubChem CID 103425826) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
PubChem CID103425826
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
SMILESCOc1c(NCC(F)(F)F)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C11H14F3N3O2S/c1-19-7-6(15)8(9(18)17-5-2-3-5)20-10(7)16-4-11(12,13)14/h5,16H,2-4,15H2,1H3,(H,17,18)
InChIKeyYUQUHZLXDYCKEO-UHFFFAOYSA-N
XLogP2.21
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
CID 103424225
3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425757
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide
CID 103510092
3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide
CID 103525009
3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103423672
3-amino-N-cyclopropyl-5-[ethyl(propyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421058
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424181
3-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxy-N-methylthiophene-2-carboxamide
CID 103425144
methyl 4-amino-2-(butylamino)-5-(cyclopropylcarbamoyl)thiophene-3-carboxylate
CID 103425212

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide (CID 103425826) is 3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide is COc1c(NCC(F)(F)F)sc(C(=O)NC2CC2)c1N.
What is the InChIKey of 3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The InChIKey is YUQUHZLXDYCKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-19-7-6(15)8(9(18)17-5-2-3-5)20-10(7)16-4-11(12,13)14/h5,16H,2-4,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide has a molecular weight of 309.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103425826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).