4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde

C7H4ClN3OS — CID 80687895

IUPAC4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(-n2ccnc2)nc1Cl
InChIInChI=1S/C7H4ClN3OS/c8-6-5(3-12)13-7(10-6)11-2-1-9-4-11/h1-4H
InChIKeyRGNFDHODTOHAHV-UHFFFAOYSA-N
MW213.65 g/mol
LogP1.79
Rot. Bonds2

About 4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde

4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 80687895) has the molecular formula C7H4ClN3OS and a molecular weight of 213.65 g/mol. Its IUPAC name is 4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde
PubChem CID80687895
Molecular FormulaC7H4ClN3OS
Molecular Weight213.65 g/mol
Exact Mass212.98
IUPAC Name4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(-n2ccnc2)nc1Cl
InChIInChI=1S/C7H4ClN3OS/c8-6-5(3-12)13-7(10-6)11-2-1-9-4-11/h1-4H
InChIKeyRGNFDHODTOHAHV-UHFFFAOYSA-N
XLogP1.79
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 51.79
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-imidazol-1-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde (CID 80687895) is 4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde is O=Cc1sc(-n2ccnc2)nc1Cl.
What is the InChIKey of 4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is RGNFDHODTOHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3OS/c8-6-5(3-12)13-7(10-6)11-2-1-9-4-11/h1-4H.
What are the key properties of 4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde?
4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 213.65 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-imidazol-1-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).