(3-chloro-5-phenyl-1,2-thiazol-4-yl) formate

C10H6ClNO2S — CID 90442054

IUPAC(3-chloro-5-phenyl-1,2-thiazol-4-yl) formate
SMILESO=COc1c(Cl)nsc1-c1ccccc1
InChIInChI=1S/C10H6ClNO2S/c11-10-8(14-6-13)9(15-12-10)7-4-2-1-3-5-7/h1-6H
InChIKeyUPEMWFVEPVJBRE-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.00
Rot. Bonds3

About (3-chloro-5-phenyl-1,2-thiazol-4-yl) formate

(3-chloro-5-phenyl-1,2-thiazol-4-yl) formate (PubChem CID 90442054) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is (3-chloro-5-phenyl-1,2-thiazol-4-yl) formate.

Molecular Properties

Compound Name(3-chloro-5-phenyl-1,2-thiazol-4-yl) formate
PubChem CID90442054
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name(3-chloro-5-phenyl-1,2-thiazol-4-yl) formate
SMILESO=COc1c(Cl)nsc1-c1ccccc1
InChIInChI=1S/C10H6ClNO2S/c11-10-8(14-6-13)9(15-12-10)7-4-2-1-3-5-7/h1-6H
InChIKeyUPEMWFVEPVJBRE-UHFFFAOYSA-N
XLogP3.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.00
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 (3-chloro-5-phenyl-1,2-thiazol-4-yl) formate?
The IUPAC name of (3-chloro-5-phenyl-1,2-thiazol-4-yl) formate (CID 90442054) is (3-chloro-5-phenyl-1,2-thiazol-4-yl) formate.
What is the SMILES notation for (3-chloro-5-phenyl-1,2-thiazol-4-yl) formate?
The canonical SMILES for (3-chloro-5-phenyl-1,2-thiazol-4-yl) formate is O=COc1c(Cl)nsc1-c1ccccc1.
What is the InChIKey of (3-chloro-5-phenyl-1,2-thiazol-4-yl) formate?
The InChIKey is UPEMWFVEPVJBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-10-8(14-6-13)9(15-12-10)7-4-2-1-3-5-7/h1-6H.
What are the key properties of (3-chloro-5-phenyl-1,2-thiazol-4-yl) formate?
(3-chloro-5-phenyl-1,2-thiazol-4-yl) formate has a molecular weight of 239.68 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-phenyl-1,2-thiazol-4-yl) formate is sourced from PubChem (CID 90442054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).