5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole

C10H7BrClNOS — CID 58258261

IUPAC5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(-c2ccc(Br)cc2Cl)s1
InChIInChI=1S/C10H7BrClNOS/c1-14-10-13-5-9(15-10)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyRSIRJNZRBJGFKC-UHFFFAOYSA-N
MW304.60 g/mol
LogP4.23
Rot. Bonds2

About 5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole

5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole (PubChem CID 58258261) has the molecular formula C10H7BrClNOS and a molecular weight of 304.60 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole
PubChem CID58258261
Molecular FormulaC10H7BrClNOS
Molecular Weight304.60 g/mol
Exact Mass302.91
IUPAC Name5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(-c2ccc(Br)cc2Cl)s1
InChIInChI=1S/C10H7BrClNOS/c1-14-10-13-5-9(15-10)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyRSIRJNZRBJGFKC-UHFFFAOYSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole (CID 58258261) is 5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole is COc1ncc(-c2ccc(Br)cc2Cl)s1.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole?
The InChIKey is RSIRJNZRBJGFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNOS/c1-14-10-13-5-9(15-10)7-3-2-6(11)4-8(7)12/h2-5H,1H3.
What are the key properties of 5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole?
5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole has a molecular weight of 304.60 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)-2-methoxy-1,3-thiazole is sourced from PubChem (CID 58258261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).