3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol

C18H20N2OS2 — CID 18581578

IUPAC3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol
SMILESCc1cccc(/N=c2\scc(-c3cccs3)n2CCCO)c1C
InChIInChI=1S/C18H20N2OS2/c1-13-6-3-7-15(14(13)2)19-18-20(9-5-10-21)16(12-23-18)17-8-4-11-22-17/h3-4,6-8,11-12,21H,5,9-10H2,1-2H3/b19-18-
InChIKeyJXWXZBHSIUBYEU-HNENSFHCSA-N
MW344.51 g/mol
LogP4.51
Rot. Bonds5

About 3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol

3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol (PubChem CID 18581578) has the molecular formula C18H20N2OS2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol
PubChem CID18581578
Molecular FormulaC18H20N2OS2
Molecular Weight344.51 g/mol
Exact Mass344.10
IUPAC Name3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol
SMILESCc1cccc(/N=c2\scc(-c3cccs3)n2CCCO)c1C
InChIInChI=1S/C18H20N2OS2/c1-13-6-3-7-15(14(13)2)19-18-20(9-5-10-21)16(12-23-18)17-8-4-11-22-17/h3-4,6-8,11-12,21H,5,9-10H2,1-2H3/b19-18-
InChIKeyJXWXZBHSIUBYEU-HNENSFHCSA-N
XLogP4.51
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol?
The IUPAC name of 3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol (CID 18581578) is 3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol is Cc1cccc(/N=c2\scc(-c3cccs3)n2CCCO)c1C.
What is the InChIKey of 3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol?
The InChIKey is JXWXZBHSIUBYEU-HNENSFHCSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-13-6-3-7-15(14(13)2)19-18-20(9-5-10-21)16(12-23-18)17-8-4-11-22-17/h3-4,6-8,11-12,21H,5,9-10H2,1-2H3/b19-18-.
What are the key properties of 3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol?
3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol has a molecular weight of 344.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol is sourced from PubChem (CID 18581578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).