3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile

C12H9F2N3S — CID 103525851

IUPAC3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile
SMILESN#Cc1sc(NCc2ccc(F)cc2F)cc1N
InChIInChI=1S/C12H9F2N3S/c13-8-2-1-7(9(14)3-8)6-17-12-4-10(16)11(5-15)18-12/h1-4,17H,6,16H2
InChIKeyAMOKVRSXCVUVAX-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.09
Rot. Bonds3

About 3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile

3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile (PubChem CID 103525851) has the molecular formula C12H9F2N3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile
PubChem CID103525851
Molecular FormulaC12H9F2N3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile
SMILESN#Cc1sc(NCc2ccc(F)cc2F)cc1N
InChIInChI=1S/C12H9F2N3S/c13-8-2-1-7(9(14)3-8)6-17-12-4-10(16)11(5-15)18-12/h1-4,17H,6,16H2
InChIKeyAMOKVRSXCVUVAX-UHFFFAOYSA-N
XLogP3.09
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[(2-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432110
1-[3-amino-5-[(2,4-difluorophenyl)methylamino]thiophen-2-yl]propan-1-one
CID 103525840
3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 103468207
3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile
CID 103424676
2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
CID 62229071
2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile
CID 107544298
4-bromo-1-N-[(2,4-difluorophenyl)methyl]benzene-1,2-diamine
CID 62227743
3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile
CID 103432311
2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile
CID 114880935
5-chloro-1-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzene-1,2,4-triamine
CID 103553011
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile (CID 103525851) is 3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile is N#Cc1sc(NCc2ccc(F)cc2F)cc1N.
What is the InChIKey of 3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile?
The InChIKey is AMOKVRSXCVUVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3S/c13-8-2-1-7(9(14)3-8)6-17-12-4-10(16)11(5-15)18-12/h1-4,17H,6,16H2.
What are the key properties of 3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile?
3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile has a molecular weight of 265.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile is sourced from PubChem (CID 103525851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).