methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate

C10H7BrClNO2S2 — CID 102842185

IUPACmethyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2cc(Br)c(Cl)s2)nc1C
InChIInChI=1S/C10H7BrClNO2S2/c1-4-7(10(14)15-2)17-9(13-4)6-3-5(11)8(12)16-6/h3H,1-2H3
InChIKeyPSSBODQCORKCTD-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.38
Rot. Bonds2

About methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 102842185) has the molecular formula C10H7BrClNO2S2 and a molecular weight of 352.66 g/mol. Its IUPAC name is methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID102842185
Molecular FormulaC10H7BrClNO2S2
Molecular Weight352.66 g/mol
Exact Mass350.88
IUPAC Namemethyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2cc(Br)c(Cl)s2)nc1C
InChIInChI=1S/C10H7BrClNO2S2/c1-4-7(10(14)15-2)17-9(13-4)6-3-5(11)8(12)16-6/h3H,1-2H3
InChIKeyPSSBODQCORKCTD-UHFFFAOYSA-N
XLogP4.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 107124592
methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate
CID 114078260
2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 102842168
ethyl 2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116887456
2-(4-bromo-5-chlorothiophen-2-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 102842182
methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate
CID 130568901
methyl 2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 115327916
1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 47302510
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
CID 115327950
methyl 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115350310
methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 131254450

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate (CID 102842185) is methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2cc(Br)c(Cl)s2)nc1C.
What is the InChIKey of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PSSBODQCORKCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO2S2/c1-4-7(10(14)15-2)17-9(13-4)6-3-5(11)8(12)16-6/h3H,1-2H3.
What are the key properties of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 352.66 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 102842185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).