4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde

C11H7N5OS — CID 62927731

IUPAC4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(-c2cccc(-n3cnnn3)c2)cs1
InChIInChI=1S/C11H7N5OS/c17-5-11-13-10(6-18-11)8-2-1-3-9(4-8)16-7-12-14-15-16/h1-7H
InChIKeyVUNKLHJCTYUVCE-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.60
Rot. Bonds3

About 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde

4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde (PubChem CID 62927731) has the molecular formula C11H7N5OS and a molecular weight of 257.28 g/mol. Its IUPAC name is 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde
PubChem CID62927731
Molecular FormulaC11H7N5OS
Molecular Weight257.28 g/mol
Exact Mass257.04
IUPAC Name4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(-c2cccc(-n3cnnn3)c2)cs1
InChIInChI=1S/C11H7N5OS/c17-5-11-13-10(6-18-11)8-2-1-3-9(4-8)16-7-12-14-15-16/h1-7H
InChIKeyVUNKLHJCTYUVCE-UHFFFAOYSA-N
XLogP1.60
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole
CID 62922172
N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 62942366
ethyl 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carboxylate
CID 61385361
4-phenyl-1,3-thiazole-2-carbaldehyde
CID 3538814
4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47082768
2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide
CID 167837597
1-ethyl-3-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carbaldehyde
CID 61265303
4-(tetrazol-1-yl)benzaldehyde
CID 55266152
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 78862634
[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 90601690
1-(3-isocyanatophenyl)tetrazole
CID 169352888
N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine
CID 62203211

Frequently Asked Questions

What is the IUPAC name of 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde (CID 62927731) is 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde is O=Cc1nc(-c2cccc(-n3cnnn3)c2)cs1.
What is the InChIKey of 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde?
The InChIKey is VUNKLHJCTYUVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5OS/c17-5-11-13-10(6-18-11)8-2-1-3-9(4-8)16-7-12-14-15-16/h1-7H.
What are the key properties of 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde?
4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde has a molecular weight of 257.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 62927731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).