4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde

C7H5ClN2OS3 — CID 53273660

IUPAC4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(SC2=NCCS2)nc1Cl
InChIInChI=1S/C7H5ClN2OS3/c8-5-4(3-11)13-7(10-5)14-6-9-1-2-12-6/h3H,1-2H2
InChIKeyUOWYIKUDQYHEKS-UHFFFAOYSA-N
MW264.78 g/mol
LogP2.80
Rot. Bonds2

About 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 53273660) has the molecular formula C7H5ClN2OS3 and a molecular weight of 264.78 g/mol. Its IUPAC name is 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde
PubChem CID53273660
Molecular FormulaC7H5ClN2OS3
Molecular Weight264.78 g/mol
Exact Mass263.93
IUPAC Name4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(SC2=NCCS2)nc1Cl
InChIInChI=1S/C7H5ClN2OS3/c8-5-4(3-11)13-7(10-5)14-6-9-1-2-12-6/h3H,1-2H2
InChIKeyUOWYIKUDQYHEKS-UHFFFAOYSA-N
XLogP2.80
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dichloro-1,3-thiazole-5-carboxaldehyde
CID 1488672
4-Chloro-1,3-thiazole-5-carbaldehyde
CID 14501317
4-Chloro-2-methoxy-1,3-thiazole-5-carbaldehyde
CID 33777885
2-Bromo-4-chloro-1,3-thiazole-5-carbaldehyde
CID 15141968
4-Chloro-2-methyl-1,3-thiazole-5-carbaldehyde
CID 21052312
4-Chloro-2-iodo-1,3-thiazole-5-carbaldehyde
CID 137935417
4-Chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 15665808
4-Chloro-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole-5-carbaldehyde
CID 149827702
4-Chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde
CID 19835127
4-Chloro-2-ethoxy-1,3-thiazole-5-carbaldehyde
CID 33777881
CID 173888673
CID 173888673
4-Chloro-2-propoxy-1,3-thiazole-5-carbaldehyde
CID 80687446

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde (CID 53273660) is 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(SC2=NCCS2)nc1Cl.
What is the InChIKey of 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is UOWYIKUDQYHEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS3/c8-5-4(3-11)13-7(10-5)14-6-9-1-2-12-6/h3H,1-2H2.
What are the key properties of 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 264.78 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 53273660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).