2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde

C8H3Cl2NOS2 — CID 130655979

IUPAC2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(Cl)sc2Cl)s1
InChIInChI=1S/C8H3Cl2NOS2/c9-6-1-5(7(10)14-6)8-11-2-4(3-12)13-8/h1-3H
InChIKeyAFGHBKFCKYTCOE-UHFFFAOYSA-N
MW264.16 g/mol
LogP3.99
Rot. Bonds2

About 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde

2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 130655979) has the molecular formula C8H3Cl2NOS2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID130655979
Molecular FormulaC8H3Cl2NOS2
Molecular Weight264.16 g/mol
Exact Mass262.90
IUPAC Name2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(Cl)sc2Cl)s1
InChIInChI=1S/C8H3Cl2NOS2/c9-6-1-5(7(10)14-6)8-11-2-4(3-12)13-8/h1-3H
InChIKeyAFGHBKFCKYTCOE-UHFFFAOYSA-N
XLogP3.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde (CID 130655979) is 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2cc(Cl)sc2Cl)s1.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is AFGHBKFCKYTCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2NOS2/c9-6-1-5(7(10)14-6)8-11-2-4(3-12)13-8/h1-3H.
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde?
2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 264.16 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 130655979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).