2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde

C9H5F2NO2S2 — CID 178133316

IUPAC2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2sccc2OC(F)F)s1
InChIInChI=1S/C9H5F2NO2S2/c10-9(11)14-6-1-2-15-7(6)8-12-3-5(4-13)16-8/h1-4,9H
InChIKeyJCYOARHRUJTRNC-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.29
Rot. Bonds4

About 2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde

2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde (PubChem CID 178133316) has the molecular formula C9H5F2NO2S2 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde
PubChem CID178133316
Molecular FormulaC9H5F2NO2S2
Molecular Weight261.27 g/mol
Exact Mass260.97
IUPAC Name2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2sccc2OC(F)F)s1
InChIInChI=1S/C9H5F2NO2S2/c10-9(11)14-6-1-2-15-7(6)8-12-3-5(4-13)16-8/h1-4,9H
InChIKeyJCYOARHRUJTRNC-UHFFFAOYSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde
CID 178133496
2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde
CID 178133864
2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 58504235
2-(2-propan-2-yloxyphenyl)-1,3-thiazole-5-carbaldehyde
CID 178133884
2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carbaldehyde
CID 65197767
2-(2-bromo-3-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 131162374
2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 107281187
2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde
CID 106886413
4-bromo-5-(difluoromethoxy)thieno[2,3-b]pyridine
CID 171547735
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 115528106
2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde
CID 79980973
2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde
CID 62318682

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde (CID 178133316) is 2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2sccc2OC(F)F)s1.
What is the InChIKey of 2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is JCYOARHRUJTRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2S2/c10-9(11)14-6-1-2-15-7(6)8-12-3-5(4-13)16-8/h1-4,9H.
What are the key properties of 2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde?
2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 261.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 178133316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).