2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide

C9H15N3OS — CID 82508680

IUPAC2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide
SMILESCN(C)C(=O)c1c(CCN)csc1N
InChIInChI=1S/C9H15N3OS/c1-12(2)9(13)7-6(3-4-10)5-14-8(7)11/h5H,3-4,10-11H2,1-2H3
InChIKeyJLIZAXAMCILNOU-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.53
Rot. Bonds3

About 2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide

2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide (PubChem CID 82508680) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide
PubChem CID82508680
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide
SMILESCN(C)C(=O)c1c(CCN)csc1N
InChIInChI=1S/C9H15N3OS/c1-12(2)9(13)7-6(3-4-10)5-14-8(7)11/h5H,3-4,10-11H2,1-2H3
InChIKeyJLIZAXAMCILNOU-UHFFFAOYSA-N
XLogP0.53
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide (CID 82508680) is 2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide is CN(C)C(=O)c1c(CCN)csc1N.
What is the InChIKey of 2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide?
The InChIKey is JLIZAXAMCILNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-12(2)9(13)7-6(3-4-10)5-14-8(7)11/h5H,3-4,10-11H2,1-2H3.
What are the key properties of 2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide?
2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 82508680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).