methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate

C11H7BrClNO2S2 — CID 62803555

IUPACmethyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Sc2cccc(Br)c2)nc1Cl
InChIInChI=1S/C11H7BrClNO2S2/c1-16-10(15)8-9(13)14-11(18-8)17-7-4-2-3-6(12)5-7/h2-5H,1H3
InChIKeyMHJSKNUTKWZALO-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.50
Rot. Bonds3

About methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate

methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate (PubChem CID 62803555) has the molecular formula C11H7BrClNO2S2 and a molecular weight of 364.67 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
PubChem CID62803555
Molecular FormulaC11H7BrClNO2S2
Molecular Weight364.67 g/mol
Exact Mass362.88
IUPAC Namemethyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Sc2cccc(Br)c2)nc1Cl
InChIInChI=1S/C11H7BrClNO2S2/c1-16-10(15)8-9(13)14-11(18-8)17-7-4-2-3-6(12)5-7/h2-5H,1H3
InChIKeyMHJSKNUTKWZALO-UHFFFAOYSA-N
XLogP4.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate (CID 62803555) is methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Sc2cccc(Br)c2)nc1Cl.
What is the InChIKey of methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate?
The InChIKey is MHJSKNUTKWZALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2S2/c1-16-10(15)8-9(13)14-11(18-8)17-7-4-2-3-6(12)5-7/h2-5H,1H3.
What are the key properties of methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate?
methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate has a molecular weight of 364.67 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 62803555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).