6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C13H7N3OS — CID 155635630

IUPAC6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILES[C-]#[N+]c1ccc(-c2nc3sccn3c2C=O)cc1
InChIInChI=1S/C13H7N3OS/c1-14-10-4-2-9(3-5-10)12-11(8-17)16-6-7-18-13(16)15-12/h2-8H
InChIKeyOVDUDDOFOPYSOX-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.43
Rot. Bonds2

About 6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 155635630) has the molecular formula C13H7N3OS and a molecular weight of 253.29 g/mol. Its IUPAC name is 6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID155635630
Molecular FormulaC13H7N3OS
Molecular Weight253.29 g/mol
Exact Mass253.03
IUPAC Name6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILES[C-]#[N+]c1ccc(-c2nc3sccn3c2C=O)cc1
InChIInChI=1S/C13H7N3OS/c1-14-10-4-2-9(3-5-10)12-11(8-17)16-6-7-18-13(16)15-12/h2-8H
InChIKeyOVDUDDOFOPYSOX-UHFFFAOYSA-N
XLogP3.43
TPSA38.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 712406
6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635628
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
6-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758507
6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758996
6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3819350
6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 11436870
6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 4552709
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 2760659
2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione
CID 3808004
5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3453657

Frequently Asked Questions

What is the IUPAC name of 6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 155635630) is 6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is [C-]#[N+]c1ccc(-c2nc3sccn3c2C=O)cc1.
What is the InChIKey of 6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is OVDUDDOFOPYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3OS/c1-14-10-4-2-9(3-5-10)12-11(8-17)16-6-7-18-13(16)15-12/h2-8H.
What are the key properties of 6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 253.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 155635630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).