5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide

C13H13ClN2O2S2 — CID 122150083

IUPAC5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(CSCCO)ccn1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O2S2/c14-11-2-1-10(20-11)13(18)16-12-7-9(3-4-15-12)8-19-6-5-17/h1-4,7,17H,5-6,8H2,(H,15,16,18)
InChIKeyOQOYMMMYTXUOKO-UHFFFAOYSA-N
MW328.85 g/mol
LogP3.27
Rot. Bonds6

About 5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide

5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 122150083) has the molecular formula C13H13ClN2O2S2 and a molecular weight of 328.85 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID122150083
Molecular FormulaC13H13ClN2O2S2
Molecular Weight328.85 g/mol
Exact Mass328.01
IUPAC Name5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(CSCCO)ccn1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O2S2/c14-11-2-1-10(20-11)13(18)16-12-7-9(3-4-15-12)8-19-6-5-17/h1-4,7,17H,5-6,8H2,(H,15,16,18)
InChIKeyOQOYMMMYTXUOKO-UHFFFAOYSA-N
XLogP3.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide (CID 122150083) is 5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide is O=C(Nc1cc(CSCCO)ccn1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is OQOYMMMYTXUOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S2/c14-11-2-1-10(20-11)13(18)16-12-7-9(3-4-15-12)8-19-6-5-17/h1-4,7,17H,5-6,8H2,(H,15,16,18).
What are the key properties of 5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide?
5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 328.85 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 122150083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).