2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide

C13H14N2O2S — CID 59526093

IUPAC2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide
SMILESCC(O)c1ccc(-c2cc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C13H14N2O2S/c1-7(16)8-2-4-9(5-3-8)11-6-10(12(14)17)13(15)18-11/h2-7,16H,15H2,1H3,(H2,14,17)
InChIKeyYDHVPMNVUYTJCI-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.15
Rot. Bonds3

About 2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide

2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide (PubChem CID 59526093) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide
PubChem CID59526093
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide
SMILESCC(O)c1ccc(-c2cc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C13H14N2O2S/c1-7(16)8-2-4-9(5-3-8)11-6-10(12(14)17)13(15)18-11/h2-7,16H,15H2,1H3,(H2,14,17)
InChIKeyYDHVPMNVUYTJCI-UHFFFAOYSA-N
XLogP2.15
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide (CID 59526093) is 2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide is CC(O)c1ccc(-c2cc(C(N)=O)c(N)s2)cc1.
What is the InChIKey of 2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is YDHVPMNVUYTJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-7(16)8-2-4-9(5-3-8)11-6-10(12(14)17)13(15)18-11/h2-7,16H,15H2,1H3,(H2,14,17).
What are the key properties of 2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide?
2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(1-hydroxyethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 59526093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).