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

C10H6ClNO2S — CID 84701564

IUPAC2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(Cl)sc1-c1cccc(O)c1
InChIInChI=1S/C10H6ClNO2S/c11-10-12-8(5-13)9(15-10)6-2-1-3-7(14)4-6/h1-5,14H
InChIKeyHSRYVBVTTTYZTP-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.98
Rot. Bonds2

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

2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 84701564) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID84701564
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(Cl)sc1-c1cccc(O)c1
InChIInChI=1S/C10H6ClNO2S/c11-10-12-8(5-13)9(15-10)6-2-1-3-7(14)4-6/h1-5,14H
InChIKeyHSRYVBVTTTYZTP-UHFFFAOYSA-N
XLogP2.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.98
H-Bond Donors ≤ 51
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-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde (CID 84701564) is 2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde is O=Cc1nc(Cl)sc1-c1cccc(O)c1.
What is the InChIKey of 2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is HSRYVBVTTTYZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-10-12-8(5-13)9(15-10)6-2-1-3-7(14)4-6/h1-5,14H.
What are the key properties of 2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 239.68 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 84701564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).