2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone

C16H19N3O2S2 — CID 3074746

IUPAC2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCOc1ccccc1SCC1SCCN1C(=O)Cn1ccnc1
InChIInChI=1S/C16H19N3O2S2/c1-21-13-4-2-3-5-14(13)23-11-16-19(8-9-22-16)15(20)10-18-7-6-17-12-18/h2-7,12,16H,8-11H2,1H3
InChIKeyKJUPHPRDUOUVPK-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.59
Rot. Bonds6

About 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone

2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 3074746) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone
PubChem CID3074746
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCOc1ccccc1SCC1SCCN1C(=O)Cn1ccnc1
InChIInChI=1S/C16H19N3O2S2/c1-21-13-4-2-3-5-14(13)23-11-16-19(8-9-22-16)15(20)10-18-7-6-17-12-18/h2-7,12,16H,8-11H2,1H3
InChIKeyKJUPHPRDUOUVPK-UHFFFAOYSA-N
XLogP2.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone (CID 3074746) is 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone is COc1ccccc1SCC1SCCN1C(=O)Cn1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is KJUPHPRDUOUVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-21-13-4-2-3-5-14(13)23-11-16-19(8-9-22-16)15(20)10-18-7-6-17-12-18/h2-7,12,16H,8-11H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone?
2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 349.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 3074746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).