3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde

C7H7N3OS — CID 175393841

IUPAC3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde
SMILESO=CN1N=CCC1c1cncs1
InChIInChI=1S/C7H7N3OS/c11-5-10-6(1-2-9-10)7-3-8-4-12-7/h2-6H,1H2
InChIKeyUTZYFKUEAHDKOH-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.03
Rot. Bonds2

About 3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde

3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde (PubChem CID 175393841) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde.

Molecular Properties

Compound Name3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde
PubChem CID175393841
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde
SMILESO=CN1N=CCC1c1cncs1
InChIInChI=1S/C7H7N3OS/c11-5-10-6(1-2-9-10)7-3-8-4-12-7/h2-6H,1H2
InChIKeyUTZYFKUEAHDKOH-UHFFFAOYSA-N
XLogP1.03
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole
CID 146424213
tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate
CID 174554546
ethane;1,3-thiazole-5-carbaldehyde
CID 143223157
2-(1,3-thiazol-5-yl)cyclohexan-1-amine
CID 174691512
1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine
CID 82398619
5-(piperidin-4-ylidenemethyl)-1,3-thiazole
CID 112645499
5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole
CID 177219966
5-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 96632228
3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one
CID 131031717
6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid
CID 164650985
3-(1,3-thiazol-5-yl)-1,3-dihydroindol-2-one
CID 151897433
2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one
CID 136706809

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde?
The IUPAC name of 3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde (CID 175393841) is 3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde.
What is the SMILES notation for 3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde?
The canonical SMILES for 3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde is O=CN1N=CCC1c1cncs1.
What is the InChIKey of 3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde?
The InChIKey is UTZYFKUEAHDKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c11-5-10-6(1-2-9-10)7-3-8-4-12-7/h2-6H,1H2.
What are the key properties of 3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde?
3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde has a molecular weight of 181.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-yl)-3,4-dihydropyrazole-2-carbaldehyde is sourced from PubChem (CID 175393841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).