5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole

C13H11BrF3N3S — CID 155143282

IUPAC5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ncc(Br)s2)cnc1N1CCCC1
InChIInChI=1S/C13H11BrF3N3S/c14-10-7-19-12(21-10)8-5-9(13(15,16)17)11(18-6-8)20-3-1-2-4-20/h5-7H,1-4H2
InChIKeyZDIVOVDZTKQVPF-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.59
Rot. Bonds2

About 5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole

5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (PubChem CID 155143282) has the molecular formula C13H11BrF3N3S and a molecular weight of 378.22 g/mol. Its IUPAC name is 5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
PubChem CID155143282
Molecular FormulaC13H11BrF3N3S
Molecular Weight378.22 g/mol
Exact Mass376.98
IUPAC Name5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ncc(Br)s2)cnc1N1CCCC1
InChIInChI=1S/C13H11BrF3N3S/c14-10-7-19-12(21-10)8-5-9(13(15,16)17)11(18-6-8)20-3-1-2-4-20/h5-7H,1-4H2
InChIKeyZDIVOVDZTKQVPF-UHFFFAOYSA-N
XLogP4.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-5-methyl-3-(trifluoromethyl)pyridine
CID 130243856
5-propan-2-yl-2-pyrrolidin-1-yl-3-(trifluoromethyl)pyridine
CID 170687973
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935
8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 106795827
9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 106795828
5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106797048
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine
CID 176905955
1-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanamine
CID 106796530
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
2-(3,4-dimethoxyphenyl)-5-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 66716952
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (CID 155143282) is 5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is FC(F)(F)c1cc(-c2ncc(Br)s2)cnc1N1CCCC1.
What is the InChIKey of 5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The InChIKey is ZDIVOVDZTKQVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3S/c14-10-7-19-12(21-10)8-5-9(13(15,16)17)11(18-6-8)20-3-1-2-4-20/h5-7H,1-4H2.
What are the key properties of 5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole has a molecular weight of 378.22 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 155143282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).