2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole

C14H15BrN2S — CID 116885080

IUPAC2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccc(Br)c2)sc1C1CCNC1
InChIInChI=1S/C14H15BrN2S/c1-9-13(11-5-6-16-8-11)18-14(17-9)10-3-2-4-12(15)7-10/h2-4,7,11,16H,5-6,8H2,1H3
InChIKeyJYEFTGAAKKAHOD-UHFFFAOYSA-N
MW323.26 g/mol
LogP3.96
Rot. Bonds2

About 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole

2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 116885080) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
PubChem CID116885080
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccc(Br)c2)sc1C1CCNC1
InChIInChI=1S/C14H15BrN2S/c1-9-13(11-5-6-16-8-11)18-14(17-9)10-3-2-4-12(15)7-10/h2-4,7,11,16H,5-6,8H2,1H3
InChIKeyJYEFTGAAKKAHOD-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 136988563
2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885078
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84715623
5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole
CID 70791136
3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine
CID 84803146
4-methyl-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 79146802
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287610
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
CID 84604162
4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
CID 84715755
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropane-1-carbonitrile
CID 116886817

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole (CID 116885080) is 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole is Cc1nc(-c2cccc(Br)c2)sc1C1CCNC1.
What is the InChIKey of 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is JYEFTGAAKKAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c1-9-13(11-5-6-16-8-11)18-14(17-9)10-3-2-4-12(15)7-10/h2-4,7,11,16H,5-6,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 323.26 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 116885080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).