5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole

C14H16BrClN4OS — CID 175223424

IUPAC5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
SMILESCC(Oc1ncc(Br)s1)C1CCN(c2cnc(Cl)cn2)CC1
InChIInChI=1S/C14H16BrClN4OS/c1-9(21-14-19-6-11(15)22-14)10-2-4-20(5-3-10)13-8-17-12(16)7-18-13/h6-10H,2-5H2,1H3
InChIKeyIYPGDXUNXYHMNF-UHFFFAOYSA-N
MW403.73 g/mol
LogP4.03
Rot. Bonds4

About 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole

5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole (PubChem CID 175223424) has the molecular formula C14H16BrClN4OS and a molecular weight of 403.73 g/mol. Its IUPAC name is 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
PubChem CID175223424
Molecular FormulaC14H16BrClN4OS
Molecular Weight403.73 g/mol
Exact Mass401.99
IUPAC Name5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
SMILESCC(Oc1ncc(Br)s1)C1CCN(c2cnc(Cl)cn2)CC1
InChIInChI=1S/C14H16BrClN4OS/c1-9(21-14-19-6-11(15)22-14)10-2-4-20(5-3-10)13-8-17-12(16)7-18-13/h6-10H,2-5H2,1H3
InChIKeyIYPGDXUNXYHMNF-UHFFFAOYSA-N
XLogP4.03
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.73
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-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

5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175223418
5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175370745
5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol
CID 159463882
(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416146
(3R)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416138
[(1R)-1-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]ethyl] methanesulfonate
CID 87113115
2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 59598902
3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 131218863
2-[1-(5-chloropyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 130986944
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653
2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 155406135
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole (CID 175223424) is 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole is CC(Oc1ncc(Br)s1)C1CCN(c2cnc(Cl)cn2)CC1.
What is the InChIKey of 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole?
The InChIKey is IYPGDXUNXYHMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4OS/c1-9(21-14-19-6-11(15)22-14)10-2-4-20(5-3-10)13-8-17-12(16)7-18-13/h6-10H,2-5H2,1H3.
What are the key properties of 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole?
5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole has a molecular weight of 403.73 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole is sourced from PubChem (CID 175223424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).