2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole

C12H11N3O2S2 — CID 15133694

IUPAC2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole
SMILESCOc1ccnc(CS(=O)c2nc3sccc3[nH]2)c1
InChIInChI=1S/C12H11N3O2S2/c1-17-9-2-4-13-8(6-9)7-19(16)12-14-10-3-5-18-11(10)15-12/h2-6H,7H2,1H3,(H,14,15)
InChIKeyNCDFZZDDHNTZIO-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.34
Rot. Bonds4

About 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole

2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole (PubChem CID 15133694) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole.

Molecular Properties

Compound Name2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole
PubChem CID15133694
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole
SMILESCOc1ccnc(CS(=O)c2nc3sccc3[nH]2)c1
InChIInChI=1S/C12H11N3O2S2/c1-17-9-2-4-13-8(6-9)7-19(16)12-14-10-3-5-18-11(10)15-12/h2-6H,7H2,1H3,(H,14,15)
InChIKeyNCDFZZDDHNTZIO-UHFFFAOYSA-N
XLogP2.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole?
The IUPAC name of 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole (CID 15133694) is 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole.
What is the SMILES notation for 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole?
The canonical SMILES for 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole is COc1ccnc(CS(=O)c2nc3sccc3[nH]2)c1.
What is the InChIKey of 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole?
The InChIKey is NCDFZZDDHNTZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-17-9-2-4-13-8(6-9)7-19(16)12-14-10-3-5-18-11(10)15-12/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole?
2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole has a molecular weight of 293.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[2,3-d]imidazole is sourced from PubChem (CID 15133694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).