2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole

C15H17BrN2S — CID 114456862

IUPAC2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
SMILESCc1cc(-c2nc(C3CCCN3)cs2)cc(C)c1Br
InChIInChI=1S/C15H17BrN2S/c1-9-6-11(7-10(2)14(9)16)15-18-13(8-19-15)12-4-3-5-17-12/h6-8,12,17H,3-5H2,1-2H3
InChIKeyMNTWZTHJVBNILD-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.61
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole

2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 114456862) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
PubChem CID114456862
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
SMILESCc1cc(-c2nc(C3CCCN3)cs2)cc(C)c1Br
InChIInChI=1S/C15H17BrN2S/c1-9-6-11(7-10(2)14(9)16)15-18-13(8-19-15)12-4-3-5-17-12/h6-8,12,17H,3-5H2,1-2H3
InChIKeyMNTWZTHJVBNILD-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 106951192
2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114269459
2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928656
4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
CID 104853421
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
2-(furan-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853434
2-(1-methylpyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928825
3-(4-bromo-3,5-dimethylphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915212
4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 67358308
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456904

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole (CID 114456862) is 2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole is Cc1cc(-c2nc(C3CCCN3)cs2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is MNTWZTHJVBNILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-9-6-11(7-10(2)14(9)16)15-18-13(8-19-15)12-4-3-5-17-12/h6-8,12,17H,3-5H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 337.29 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 114456862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).