2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole

C14H15BrN2OS — CID 106951192

IUPAC2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C3CCCN3)cs2)cc1Br
InChIInChI=1S/C14H15BrN2OS/c1-18-13-5-4-9(7-10(13)15)14-17-12(8-19-14)11-3-2-6-16-11/h4-5,7-8,11,16H,2-3,6H2,1H3
InChIKeyPFWAUHGPCJTBTA-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.01
Rot. Bonds3

About 2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole

2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 106951192) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
PubChem CID106951192
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C3CCCN3)cs2)cc1Br
InChIInChI=1S/C14H15BrN2OS/c1-18-13-5-4-9(7-10(13)15)14-17-12(8-19-14)11-3-2-6-16-11/h4-5,7-8,11,16H,2-3,6H2,1H3
InChIKeyPFWAUHGPCJTBTA-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456862
5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole
CID 84610599
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
CID 104853421
1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888189
2-(3-bromo-4-methoxyphenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116888995
3-(3-bromo-4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 106950858
2-(furan-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853434
4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 67358308
2-(1-methylpyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928825

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole (CID 106951192) is 2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole is COc1ccc(-c2nc(C3CCCN3)cs2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is PFWAUHGPCJTBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-18-13-5-4-9(7-10(13)15)14-17-12(8-19-14)11-3-2-6-16-11/h4-5,7-8,11,16H,2-3,6H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 339.26 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 106951192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).