5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole

C13H14BrN3S — CID 155143358

IUPAC5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
SMILESCc1nc(-c2ccc(N3CCCC3)nc2)sc1Br
InChIInChI=1S/C13H14BrN3S/c1-9-12(14)18-13(16-9)10-4-5-11(15-8-10)17-6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3
InChIKeySCRIWZBGGFCIGD-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.88
Rot. Bonds2

About 5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole

5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole (PubChem CID 155143358) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
PubChem CID155143358
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
SMILESCc1nc(-c2ccc(N3CCCC3)nc2)sc1Br
InChIInChI=1S/C13H14BrN3S/c1-9-12(14)18-13(16-9)10-4-5-11(15-8-10)17-6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3
InChIKeySCRIWZBGGFCIGD-UHFFFAOYSA-N
XLogP3.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 154752871
2-(4-fluorophenyl)-4-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 30267798
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
4-[5-(6-piperidin-1-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]benzoic acid;hydrochloride
CID 70055756
2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole
CID 83558280
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
CID 126838147
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925
5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole
CID 116887927
3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-thiadiazole
CID 175911341
ethane;N-ethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-6-amine;propan-1-amine
CID 172595478
2,5-di(piperidin-1-yl)pyridine
CID 56695292

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole (CID 155143358) is 5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole is Cc1nc(-c2ccc(N3CCCC3)nc2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole?
The InChIKey is SCRIWZBGGFCIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c1-9-12(14)18-13(16-9)10-4-5-11(15-8-10)17-6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole?
5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole has a molecular weight of 324.25 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 155143358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).