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

C11H11F3N4OS — CID 103425757

IUPAC3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
SMILESN#Cc1c(NCC(F)(F)F)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C11H11F3N4OS/c12-11(13,14)4-17-10-6(3-15)7(16)8(20-10)9(19)18-5-1-2-5/h5,17H,1-2,4,16H2,(H,18,19)
InChIKeyAQYVDTSGHKASOE-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.07
Rot. Bonds4

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

3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide (PubChem CID 103425757) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
PubChem CID103425757
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
SMILESN#Cc1c(NCC(F)(F)F)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C11H11F3N4OS/c12-11(13,14)4-17-10-6(3-15)7(16)8(20-10)9(19)18-5-1-2-5/h5,17H,1-2,4,16H2,(H,18,19)
InChIKeyAQYVDTSGHKASOE-UHFFFAOYSA-N
XLogP2.07
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425826
3-amino-4-cyano-N-cyclopropyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxamide
CID 103426161
3-amino-4-cyano-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505953
3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296507
3-amino-4-cyano-N-methyl-5-(5,5,5-trifluoropentylamino)thiophene-2-carboxamide
CID 103506020
5-acetyl-4-amino-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carbonitrile
CID 106296531
methyl 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296514
3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422176
3-amino-4-cyano-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophene-2-carboxamide
CID 103421552
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
CID 103425215
4-amino-5-propanoyl-2-(5,5,5-trifluoropentylamino)thiophene-3-carbonitrile
CID 103506050

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide (CID 103425757) is 3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide is N#Cc1c(NCC(F)(F)F)sc(C(=O)NC2CC2)c1N.
What is the InChIKey of 3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The InChIKey is AQYVDTSGHKASOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c12-11(13,14)4-17-10-6(3-15)7(16)8(20-10)9(19)18-5-1-2-5/h5,17H,1-2,4,16H2,(H,18,19).
What are the key properties of 3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103425757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).