2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

C13H13BrN2S — CID 104928821

IUPAC2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESBrc1ccccc1-c1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C13H13BrN2S/c14-10-5-2-1-4-9(10)13-16-12(8-17-13)11-6-3-7-15-11/h1-2,4-5,8,11,15H,3,6-7H2/t11-/m0/s1
InChIKeyMMLMWPJRNJIZAO-NSHDSACASA-N
MW309.23 g/mol
LogP4.00
Rot. Bonds2

About 2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 104928821) has the molecular formula C13H13BrN2S and a molecular weight of 309.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID104928821
Molecular FormulaC13H13BrN2S
Molecular Weight309.23 g/mol
Exact Mass308.00
IUPAC Name2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESBrc1ccccc1-c1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C13H13BrN2S/c14-10-5-2-1-4-9(10)13-16-12(8-17-13)11-6-3-7-15-11/h1-2,4-5,8,11,15H,3,6-7H2/t11-/m0/s1
InChIKeyMMLMWPJRNJIZAO-NSHDSACASA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
CID 116888718
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898799
4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
CID 104853421
2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456862
2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 106951192
2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456904
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
2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928656
4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine
CID 116898873
8-bromo-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 141210604

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (CID 104928821) is 2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is Brc1ccccc1-c1nc([C@@H]2CCCN2)cs1.
What is the InChIKey of 2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is MMLMWPJRNJIZAO-NSHDSACASA-N. The full InChI is InChI=1S/C13H13BrN2S/c14-10-5-2-1-4-9(10)13-16-12(8-17-13)11-6-3-7-15-11/h1-2,4-5,8,11,15H,3,6-7H2/t11-/m0/s1.
What are the key properties of 2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 309.23 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 104928821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).