2-N-benzylthiophene-2,4-diamine

C11H12N2S — CID 96590698

IUPAC2-N-benzylthiophene-2,4-diamine
SMILESNc1csc(NCc2ccccc2)c1
InChIInChI=1S/C11H12N2S/c12-10-6-11(14-8-10)13-7-9-4-2-1-3-5-9/h1-6,8,13H,7,12H2
InChIKeyDBETUOBTDXUURR-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.94
Rot. Bonds3

About 2-N-benzylthiophene-2,4-diamine

2-N-benzylthiophene-2,4-diamine (PubChem CID 96590698) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-N-benzylthiophene-2,4-diamine.

Molecular Properties

Compound Name2-N-benzylthiophene-2,4-diamine
PubChem CID96590698
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2-N-benzylthiophene-2,4-diamine
SMILESNc1csc(NCc2ccccc2)c1
InChIInChI=1S/C11H12N2S/c12-10-6-11(14-8-10)13-7-9-4-2-1-3-5-9/h1-6,8,13H,7,12H2
InChIKeyDBETUOBTDXUURR-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminophenyl)methyl]thiophen-2-amine
CID 115212336
4-N-benzyl-2-thiophen-2-ylbenzene-1,4-diamine
CID 175800702
1-N-benzyl-2-iodobenzene-1,4-diamine
CID 66093524
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
2-N-benzyl-4,5-difluorobenzene-1,2-diamine
CID 130536602
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
CID 163931246
CID 163931246
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
CID 100996925
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
4-(benzylamino)thiophene-2-carboxylic acid;ethane
CID 169152149

Frequently Asked Questions

What is the IUPAC name of 2-N-benzylthiophene-2,4-diamine?
The IUPAC name of 2-N-benzylthiophene-2,4-diamine (CID 96590698) is 2-N-benzylthiophene-2,4-diamine.
What is the SMILES notation for 2-N-benzylthiophene-2,4-diamine?
The canonical SMILES for 2-N-benzylthiophene-2,4-diamine is Nc1csc(NCc2ccccc2)c1.
What is the InChIKey of 2-N-benzylthiophene-2,4-diamine?
The InChIKey is DBETUOBTDXUURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c12-10-6-11(14-8-10)13-7-9-4-2-1-3-5-9/h1-6,8,13H,7,12H2.
What are the key properties of 2-N-benzylthiophene-2,4-diamine?
2-N-benzylthiophene-2,4-diamine has a molecular weight of 204.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzylthiophene-2,4-diamine is sourced from PubChem (CID 96590698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).