4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole

C10H5Cl2F2NOS — CID 80688158

IUPAC4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole
SMILESFc1cccc(Oc2nc(Cl)c(CCl)s2)c1F
InChIInChI=1S/C10H5Cl2F2NOS/c11-4-7-9(12)15-10(17-7)16-6-3-1-2-5(13)8(6)14/h1-3H,4H2
InChIKeyMRWCMEUSDCXWRQ-UHFFFAOYSA-N
MW296.12 g/mol
LogP4.61
Rot. Bonds3

About 4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole

4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole (PubChem CID 80688158) has the molecular formula C10H5Cl2F2NOS and a molecular weight of 296.12 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole
PubChem CID80688158
Molecular FormulaC10H5Cl2F2NOS
Molecular Weight296.12 g/mol
Exact Mass294.94
IUPAC Name4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole
SMILESFc1cccc(Oc2nc(Cl)c(CCl)s2)c1F
InChIInChI=1S/C10H5Cl2F2NOS/c11-4-7-9(12)15-10(17-7)16-6-3-1-2-5(13)8(6)14/h1-3H,4H2
InChIKeyMRWCMEUSDCXWRQ-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole (CID 80688158) is 4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole is Fc1cccc(Oc2nc(Cl)c(CCl)s2)c1F.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole?
The InChIKey is MRWCMEUSDCXWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F2NOS/c11-4-7-9(12)15-10(17-7)16-6-3-1-2-5(13)8(6)14/h1-3H,4H2.
What are the key properties of 4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole?
4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole has a molecular weight of 296.12 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-2-(2,3-difluorophenoxy)-1,3-thiazole is sourced from PubChem (CID 80688158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).