3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide

C10H14F3N3OS2 — CID 103425798

IUPAC3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCC(F)(F)F)c(SC)c1N
InChIInChI=1S/C10H14F3N3OS2/c1-3-15-8(17)6-5(14)7(18-2)9(19-6)16-4-10(11,12)13/h16H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyBLLPKMPGPQUKLP-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.78
Rot. Bonds5

About 3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide

3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide (PubChem CID 103425798) has the molecular formula C10H14F3N3OS2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
PubChem CID103425798
Molecular FormulaC10H14F3N3OS2
Molecular Weight313.37 g/mol
Exact Mass313.05
IUPAC Name3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCC(F)(F)F)c(SC)c1N
InChIInChI=1S/C10H14F3N3OS2/c1-3-15-8(17)6-5(14)7(18-2)9(19-6)16-4-10(11,12)13/h16H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyBLLPKMPGPQUKLP-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425781
3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103507338
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103505794
1-[3-amino-4-methylsulfanyl-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]ethanone
CID 103505961
3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
CID 103425822
1-[3-amino-4-methylsulfanyl-5-(5,5,5-trifluoropentylamino)thiophen-2-yl]ethanone
CID 103506026
3-amino-5-(hexylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103420142
3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103508186
1-[3-amino-4-methylsulfanyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103526322
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103505802
3-amino-N-ethyl-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418732
1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423070

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide (CID 103425798) is 3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide is CCNC(=O)c1sc(NCC(F)(F)F)c(SC)c1N.
What is the InChIKey of 3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The InChIKey is BLLPKMPGPQUKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS2/c1-3-15-8(17)6-5(14)7(18-2)9(19-6)16-4-10(11,12)13/h16H,3-4,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103425798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).