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

C11H7BrClNO2S — CID 79079263

IUPACmethyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(Br)cc2)nc1Cl
InChIInChI=1S/C11H7BrClNO2S/c1-16-11(15)8-9(13)14-10(17-8)6-2-4-7(12)5-3-6/h2-5H,1H3
InChIKeyLZBBNMPSMPGOCN-UHFFFAOYSA-N
MW332.61 g/mol
LogP4.01
Rot. Bonds2

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

methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate (PubChem CID 79079263) has the molecular formula C11H7BrClNO2S and a molecular weight of 332.61 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate
PubChem CID79079263
Molecular FormulaC11H7BrClNO2S
Molecular Weight332.61 g/mol
Exact Mass330.91
IUPAC Namemethyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(Br)cc2)nc1Cl
InChIInChI=1S/C11H7BrClNO2S/c1-16-11(15)8-9(13)14-10(17-8)6-2-4-7(12)5-3-6/h2-5H,1H3
InChIKeyLZBBNMPSMPGOCN-UHFFFAOYSA-N
XLogP4.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylate
CID 79073332
methyl 2-(4-bromoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 60844908
methyl 2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114374866
methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate
CID 114520266
methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 79073840
methyl 2-(4-chlorophenyl)-4-(dibromomethyl)-1,3-thiazole-5-carboxylate
CID 24951029
methyl 4-chloro-2-(3-cyanophenyl)-1,3-thiazole-5-carboxylate
CID 79073335
methyl 2,4-bis(3,4,5-trichlorophenyl)-1,3-thiazole-5-carboxylate
CID 134636605
methyl 4-chloro-2-(1H-pyrrol-2-yl)-1,3-thiazole-5-carboxylate
CID 136678166
methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 79079553
methyl 4-chloro-2-(2,3-difluorophenyl)-1,3-thiazole-5-carboxylate
CID 79078795
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 131954915

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate (CID 79079263) is methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccc(Br)cc2)nc1Cl.
What is the InChIKey of methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate?
The InChIKey is LZBBNMPSMPGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2S/c1-16-11(15)8-9(13)14-10(17-8)6-2-4-7(12)5-3-6/h2-5H,1H3.
What are the key properties of methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate?
methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate has a molecular weight of 332.61 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 79079263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).