5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide

C12H11F2N3OS — CID 66387532

IUPAC5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide
SMILESNC(=O)c1cc(NCc2sccc2N)c(F)cc1F
InChIInChI=1S/C12H11F2N3OS/c13-7-4-8(14)10(3-6(7)12(16)18)17-5-11-9(15)1-2-19-11/h1-4,17H,5,15H2,(H2,16,18)
InChIKeyKRBWNHYRHHLINP-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.32
Rot. Bonds4

About 5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide

5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide (PubChem CID 66387532) has the molecular formula C12H11F2N3OS and a molecular weight of 283.30 g/mol. Its IUPAC name is 5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide
PubChem CID66387532
Molecular FormulaC12H11F2N3OS
Molecular Weight283.30 g/mol
Exact Mass283.06
IUPAC Name5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide
SMILESNC(=O)c1cc(NCc2sccc2N)c(F)cc1F
InChIInChI=1S/C12H11F2N3OS/c13-7-4-8(14)10(3-6(7)12(16)18)17-5-11-9(15)1-2-19-11/h1-4,17H,5,15H2,(H2,16,18)
InChIKeyKRBWNHYRHHLINP-UHFFFAOYSA-N
XLogP2.32
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
CID 66387497
3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
CID 66385546
5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 66385758
5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
CID 43673715
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
tert-butyl N-[3-[(3-aminothiophen-2-yl)methylamino]-4-fluorophenyl]carbamate
CID 107241046
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
methyl 5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoate
CID 66386748
5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
CID 43779137
2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63990643
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464
5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
CID 114487296

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide?
The IUPAC name of 5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide (CID 66387532) is 5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide is NC(=O)c1cc(NCc2sccc2N)c(F)cc1F.
What is the InChIKey of 5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide?
The InChIKey is KRBWNHYRHHLINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS/c13-7-4-8(14)10(3-6(7)12(16)18)17-5-11-9(15)1-2-19-11/h1-4,17H,5,15H2,(H2,16,18).
What are the key properties of 5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide?
5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide has a molecular weight of 283.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide is sourced from PubChem (CID 66387532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).