4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole

C10H15BrN2S — CID 79398686

IUPAC4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCN(c2nc(Br)cs2)C(C)C1
InChIInChI=1S/C10H15BrN2S/c1-7-3-4-13(8(2)5-7)10-12-9(11)6-14-10/h6-8H,3-5H2,1-2H3
InChIKeyFVCAMBSCTBYEIE-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.53
Rot. Bonds1

About 4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole

4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole (PubChem CID 79398686) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole
PubChem CID79398686
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCN(c2nc(Br)cs2)C(C)C1
InChIInChI=1S/C10H15BrN2S/c1-7-3-4-13(8(2)5-7)10-12-9(11)6-14-10/h6-8H,3-5H2,1-2H3
InChIKeyFVCAMBSCTBYEIE-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromo-1,3-thiazol-2-YL)piperidine
CID 45787499
4-Bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
CID 169266631
1-(4-Bromo-1,3-thiazol-2-yl)piperidine-4-carbonitrile
CID 86681442
4-Bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 79399927
4-Bromo-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 79400048
1-(4-Bromo-1,3-thiazol-2-yl)-4-fluoropiperidine
CID 164651187
4-(4-Propylpiperidin-1-yl)-1,3-thiazol-2-amine
CID 20143738
4-Bromo-2-(4-methylpiperidin-1-YL)thiazole
CID 45787528
4-Bromo-2-(4-isopropylpiperazin-1-yl)thiazole
CID 79399887
4-Chloro-2-(4-ethylpiperidin-1-yl)-1,3-thiazole
CID 83156082
4-Chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole
CID 83156680
2-(3-Azabicyclo[3.1.0]hexan-3-yl)-4-bromothiazole
CID 89813337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole (CID 79398686) is 4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole is CC1CCN(c2nc(Br)cs2)C(C)C1.
What is the InChIKey of 4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is FVCAMBSCTBYEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-7-3-4-13(8(2)5-7)10-12-9(11)6-14-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole?
4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 275.21 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 79398686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).