4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde

C10H10ClN3OS — CID 80687439

IUPAC4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nccn1-c1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H10ClN3OS/c1-2-3-8-12-4-5-14(8)10-13-9(11)7(6-15)16-10/h4-6H,2-3H2,1H3
InChIKeyACZNSLOIIZIEPQ-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.75
Rot. Bonds4

About 4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 80687439) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID80687439
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nccn1-c1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H10ClN3OS/c1-2-3-8-12-4-5-14(8)10-13-9(11)7(6-15)16-10/h4-6H,2-3H2,1H3
InChIKeyACZNSLOIIZIEPQ-UHFFFAOYSA-N
XLogP2.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde (CID 80687439) is 4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde is CCCc1nccn1-c1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is ACZNSLOIIZIEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-2-3-8-12-4-5-14(8)10-13-9(11)7(6-15)16-10/h4-6H,2-3H2,1H3.
What are the key properties of 4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 255.73 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-propylimidazol-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).