propanoic acid;thiophene-2,3-diamine

C10H18N2O4S — CID 174351505

IUPACpropanoic acid;thiophene-2,3-diamine
SMILESCCC(=O)O.CCC(=O)O.Nc1ccsc1N
InChIInChI=1S/C4H6N2S.2C3H6O2/c5-3-1-2-7-4(3)6;2*1-2-3(4)5/h1-2H,5-6H2;2*2H2,1H3,(H,4,5)
InChIKeyAVQZODCPQZJQJB-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.87
Rot. Bonds2

About propanoic acid;thiophene-2,3-diamine

propanoic acid;thiophene-2,3-diamine (PubChem CID 174351505) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is propanoic acid;thiophene-2,3-diamine.

Molecular Properties

Compound Namepropanoic acid;thiophene-2,3-diamine
PubChem CID174351505
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Namepropanoic acid;thiophene-2,3-diamine
SMILESCCC(=O)O.CCC(=O)O.Nc1ccsc1N
InChIInChI=1S/C4H6N2S.2C3H6O2/c5-3-1-2-7-4(3)6;2*1-2-3(4)5/h1-2H,5-6H2;2*2H2,1H3,(H,4,5)
InChIKeyAVQZODCPQZJQJB-UHFFFAOYSA-N
XLogP1.87
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[1-(3-aminothiophen-2-yl)propyl]thiophen-3-amine
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3-amino-N-methyl-N-propylthiophene-2-carboxamide
CID 61095360
5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride
CID 53297739
propanoic acid;terephthalic acid
CID 158352815
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1-(2-aminothiophen-3-yl)-2-hydroxyethanone
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CID 61092296

Frequently Asked Questions

What is the IUPAC name of propanoic acid;thiophene-2,3-diamine?
The IUPAC name of propanoic acid;thiophene-2,3-diamine (CID 174351505) is propanoic acid;thiophene-2,3-diamine.
What is the SMILES notation for propanoic acid;thiophene-2,3-diamine?
The canonical SMILES for propanoic acid;thiophene-2,3-diamine is CCC(=O)O.CCC(=O)O.Nc1ccsc1N.
What is the InChIKey of propanoic acid;thiophene-2,3-diamine?
The InChIKey is AVQZODCPQZJQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.2C3H6O2/c5-3-1-2-7-4(3)6;2*1-2-3(4)5/h1-2H,5-6H2;2*2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;thiophene-2,3-diamine?
propanoic acid;thiophene-2,3-diamine has a molecular weight of 262.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;thiophene-2,3-diamine is sourced from PubChem (CID 174351505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).