4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide

C10H9F3N4OS — CID 106218979

IUPAC4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
SMILESN#Cc1sc(NC2(C(F)(F)F)CC2)c(C(N)=O)c1N
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)9(1-2-9)17-8-5(7(16)18)6(15)4(3-14)19-8/h17H,1-2,15H2,(H2,16,18)
InChIKeyCPWAEPTWXYGKRK-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.81
Rot. Bonds3

About 4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide

4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide (PubChem CID 106218979) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
PubChem CID106218979
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
SMILESN#Cc1sc(NC2(C(F)(F)F)CC2)c(C(N)=O)c1N
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)9(1-2-9)17-8-5(7(16)18)6(15)4(3-14)19-8/h17H,1-2,15H2,(H2,16,18)
InChIKeyCPWAEPTWXYGKRK-UHFFFAOYSA-N
XLogP1.81
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
CID 106219030
3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide
CID 106219004
4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 103423198
4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide
CID 103525923
4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide
CID 103428685
4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide
CID 103420749
4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide
CID 103427665
4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide
CID 106044889
4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide
CID 103426614
3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
CID 106219038
methyl 4-amino-5-cyano-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxylate
CID 106296505
4-amino-5-cyano-2-(4-hydroxy-4-methylazepan-1-yl)thiophene-3-carboxamide
CID 107409265

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide (CID 106218979) is 4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide is N#Cc1sc(NC2(C(F)(F)F)CC2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide?
The InChIKey is CPWAEPTWXYGKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c11-10(12,13)9(1-2-9)17-8-5(7(16)18)6(15)4(3-14)19-8/h17H,1-2,15H2,(H2,16,18).
What are the key properties of 4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide?
4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide has a molecular weight of 290.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 106218979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).