1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde

C14H11N3OS — CID 173284762

IUPAC1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde
SMILESO=Cc1nccn1Cc1ccc(-c2cncs2)cc1
InChIInChI=1S/C14H11N3OS/c18-9-14-16-5-6-17(14)8-11-1-3-12(4-2-11)13-7-15-10-19-13/h1-7,9-10H,8H2
InChIKeyJTSAZOBHYIZDMD-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.87
Rot. Bonds4

About 1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde

1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde (PubChem CID 173284762) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde
PubChem CID173284762
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde
SMILESO=Cc1nccn1Cc1ccc(-c2cncs2)cc1
InChIInChI=1S/C14H11N3OS/c18-9-14-16-5-6-17(14)8-11-1-3-12(4-2-11)13-7-15-10-19-13/h1-7,9-10H,8H2
InChIKeyJTSAZOBHYIZDMD-UHFFFAOYSA-N
XLogP2.87
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Imidazol-1-ylmethyl)-2-phenyl-1,3-thiazole
CID 137656473
1-[(4-fluorophenyl)methyl]-5-(methylsulfanyl)-1H-imidazole-2-carbaldehyde
CID 118905997
2-[[3-[1-(4-Fluorophenyl)ethyl]imidazol-4-yl]methyl-[2-[methyl-[[2-(methylamino)-1,3-thiazol-5-yl]methyl]amino]ethyl]amino]acetaldehyde
CID 144844509
2-[2-[[2-(Dimethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethyl-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]amino]acetaldehyde
CID 156040559
2-[[3-[1-(4-Fluorophenyl)ethyl]imidazol-4-yl]methyl-[2-[methyl-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]amino]ethyl]amino]acetaldehyde
CID 156040562
2-Phenyl-1-(1-thiophen-2-ylimidazol-2-yl)ethanone
CID 164687398
6-[(4-Fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780817
6-[(3-Fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43475611
6-[(2-Fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61412220
6-[1-(2-Fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 62979008
2-(4'-Formylphenyl)imidazo-[2,1-b]thiazole
CID 15229609
5-Phenylimidazo-[5,1-b]-thiazole-7-carboxaldehyde
CID 18922493

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde?
The IUPAC name of 1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde (CID 173284762) is 1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde.
What is the SMILES notation for 1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde?
The canonical SMILES for 1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde is O=Cc1nccn1Cc1ccc(-c2cncs2)cc1.
What is the InChIKey of 1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde?
The InChIKey is JTSAZOBHYIZDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-9-14-16-5-6-17(14)8-11-1-3-12(4-2-11)13-7-15-10-19-13/h1-7,9-10H,8H2.
What are the key properties of 1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde?
1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde has a molecular weight of 269.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,3-thiazol-5-yl)phenyl]methyl]imidazole-2-carbaldehyde is sourced from PubChem (CID 173284762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).