3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile

C10H11F2N3S — CID 103505679

IUPAC3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NCC(F)F)c(C2CC2)c1N
InChIInChI=1S/C10H11F2N3S/c11-7(12)4-15-10-8(5-1-2-5)9(14)6(3-13)16-10/h5,7,15H,1-2,4,14H2
InChIKeyBTTYESWDRJFLDT-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.76
Rot. Bonds4

About 3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile

3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile (PubChem CID 103505679) has the molecular formula C10H11F2N3S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile
PubChem CID103505679
Molecular FormulaC10H11F2N3S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NCC(F)F)c(C2CC2)c1N
InChIInChI=1S/C10H11F2N3S/c11-7(12)4-15-10-8(5-1-2-5)9(14)6(3-13)16-10/h5,7,15H,1-2,4,14H2
InChIKeyBTTYESWDRJFLDT-UHFFFAOYSA-N
XLogP2.76
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103417617
3-Amino-4-cyclopropyl-5-[(2,5-difluorophenyl)methylamino]thiophene-2-carbonitrile
CID 103417621
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile
CID 103422817
3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
CID 103422832
3-Amino-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422870
3-Amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422874
3-Amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422892
3-Amino-4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422896
3-Amino-4-cyclopropyl-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carbonitrile
CID 103424997
3-Amino-4-cyclopropyl-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carbonitrile
CID 103425705
3-Amino-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile
CID 103425769
3-Amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile
CID 103425787

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile (CID 103505679) is 3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile is N#Cc1sc(NCC(F)F)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile?
The InChIKey is BTTYESWDRJFLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3S/c11-7(12)4-15-10-8(5-1-2-5)9(14)6(3-13)16-10/h5,7,15H,1-2,4,14H2.
What are the key properties of 3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile?
3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile has a molecular weight of 243.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103505679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).