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

C14H14BrNOS — CID 116734465

IUPAC4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole
SMILESCOC(c1nc(-c2cccc(Br)c2)cs1)C1CC1
InChIInChI=1S/C14H14BrNOS/c1-17-13(9-5-6-9)14-16-12(8-18-14)10-3-2-4-11(15)7-10/h2-4,7-9,13H,5-6H2,1H3
InChIKeyVPIMZTHZULMZPG-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.67
Rot. Bonds4

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

4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole (PubChem CID 116734465) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole
PubChem CID116734465
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole
SMILESCOC(c1nc(-c2cccc(Br)c2)cs1)C1CC1
InChIInChI=1S/C14H14BrNOS/c1-17-13(9-5-6-9)14-16-12(8-18-14)10-3-2-4-11(15)7-10/h2-4,7-9,13H,5-6H2,1H3
InChIKeyVPIMZTHZULMZPG-UHFFFAOYSA-N
XLogP4.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116734463
4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole;chloride;hydrochloride
CID 44664830
4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966608
4-(3-bromophenyl)-2-(1-ethylpiperidin-1-ium-4-yl)-1,3-thiazole
CID 1390058
4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
CID 116782540
4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878385
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
CID 63526231
2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907532

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole (CID 116734465) is 4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole is COC(c1nc(-c2cccc(Br)c2)cs1)C1CC1.
What is the InChIKey of 4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole?
The InChIKey is VPIMZTHZULMZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-17-13(9-5-6-9)14-16-12(8-18-14)10-3-2-4-11(15)7-10/h2-4,7-9,13H,5-6H2,1H3.
What are the key properties of 4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole?
4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole has a molecular weight of 324.24 g/mol, XLogP of 4.67, 4 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(methoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 116734465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).