4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole

C15H16BrNOS — CID 116734463

IUPAC4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
SMILESCCOC(c1nc(-c2cccc(Br)c2)cs1)C1CC1
InChIInChI=1S/C15H16BrNOS/c1-2-18-14(10-6-7-10)15-17-13(9-19-15)11-4-3-5-12(16)8-11/h3-5,8-10,14H,2,6-7H2,1H3
InChIKeyIEJFREAACFZXIF-UHFFFAOYSA-N
MW338.27 g/mol
LogP5.06
Rot. Bonds5

About 4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole

4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole (PubChem CID 116734463) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
PubChem CID116734463
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
SMILESCCOC(c1nc(-c2cccc(Br)c2)cs1)C1CC1
InChIInChI=1S/C15H16BrNOS/c1-2-18-14(10-6-7-10)15-17-13(9-19-15)11-4-3-5-12(16)8-11/h3-5,8-10,14H,2,6-7H2,1H3
InChIKeyIEJFREAACFZXIF-UHFFFAOYSA-N
XLogP5.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.27
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole
CID 116734465
4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116705113
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
CID 63526231
4-(3-bromophenyl)-2-(1-ethylpiperidin-1-ium-4-yl)-1,3-thiazole
CID 1390058
methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate
CID 116705184
4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966608
4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878385
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964967
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 116705291
2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole
CID 116734555
4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole;chloride;hydrochloride
CID 44664830

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole (CID 116734463) is 4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole is CCOC(c1nc(-c2cccc(Br)c2)cs1)C1CC1.
What is the InChIKey of 4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole?
The InChIKey is IEJFREAACFZXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-2-18-14(10-6-7-10)15-17-13(9-19-15)11-4-3-5-12(16)8-11/h3-5,8-10,14H,2,6-7H2,1H3.
What are the key properties of 4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole?
4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole has a molecular weight of 338.27 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 116734463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).