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

C14H14BrNO2S — CID 114374877

IUPACmethyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(-c2cccc(Br)c2)sc1C(=O)OC
InChIInChI=1S/C14H14BrNO2S/c1-3-5-11-12(14(17)18-2)19-13(16-11)9-6-4-7-10(15)8-9/h4,6-8H,3,5H2,1-2H3
InChIKeyYMZSLHPODBDYGC-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.31
Rot. Bonds4

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

methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate (PubChem CID 114374877) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate
PubChem CID114374877
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Namemethyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(-c2cccc(Br)c2)sc1C(=O)OC
InChIInChI=1S/C14H14BrNO2S/c1-3-5-11-12(14(17)18-2)19-13(16-11)9-6-4-7-10(15)8-9/h4,6-8H,3,5H2,1-2H3
InChIKeyYMZSLHPODBDYGC-UHFFFAOYSA-N
XLogP4.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432630
1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one
CID 118609224
methyl 2-(3-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114358841
N-[[2-(3-bromophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364270
methyl 2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114374866
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
CID 134280333
ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate
CID 122508677
methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate
CID 79036936
methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 79073840
2-(4-bromo-2-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 103083519
methyl 2-[5-bromo-2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 148550488

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate (CID 114374877) is methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate is CCCc1nc(-c2cccc(Br)c2)sc1C(=O)OC.
What is the InChIKey of methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is YMZSLHPODBDYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-3-5-11-12(14(17)18-2)19-13(16-11)9-6-4-7-10(15)8-9/h4,6-8H,3,5H2,1-2H3.
What are the key properties of methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate?
methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate has a molecular weight of 340.24 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 114374877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).