2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde

C8H7N3OS — CID 18474594

IUPAC2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde
SMILESO=CCn1ccnc1-c1nccs1
InChIInChI=1S/C8H7N3OS/c12-5-4-11-3-1-9-7(11)8-10-2-6-13-8/h1-3,5-6H,4H2
InChIKeyJBIQYOYWZVWSLJ-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.21
Rot. Bonds3

About 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde

2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde (PubChem CID 18474594) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde
PubChem CID18474594
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde
SMILESO=CCn1ccnc1-c1nccs1
InChIInChI=1S/C8H7N3OS/c12-5-4-11-3-1-9-7(11)8-10-2-6-13-8/h1-3,5-6H,4H2
InChIKeyJBIQYOYWZVWSLJ-UHFFFAOYSA-N
XLogP1.21
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.21
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

N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 75500264
2-imidazol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52145872
2-(1H-imidazol-1-yl)thiazole
CID 16128051
5-Formylimidazo[5,1-b]thiazole
CID 18359938
Imidazo[5,1-b][1,3]thiazole-5-carboxamide
CID 18359995
2-(1-Methylimidazol-2-yl)-1,3-thiazole
CID 21842186
2-(1-ethoxymethyl-1H-imidazol-2-yl)-thiazole
CID 22260397
2-(Imidazol-1-ylmethyl)-1,3-thiazole
CID 22285678
2-(Imidazol-1-yl)-1-(thiazol-2-yl)-ethanone
CID 22324984
N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide
CID 22358658
(2-Thiazol-2-yl-imidazol-1-yl)-acetic acid
CID 22379906
7-Acetylthioimidazo[5,1-b]thiazole
CID 22631663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde?
The IUPAC name of 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde (CID 18474594) is 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde?
The canonical SMILES for 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde is O=CCn1ccnc1-c1nccs1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde?
The InChIKey is JBIQYOYWZVWSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c12-5-4-11-3-1-9-7(11)8-10-2-6-13-8/h1-3,5-6H,4H2.
What are the key properties of 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde?
2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde has a molecular weight of 193.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetaldehyde is sourced from PubChem (CID 18474594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).