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

C14H16BrClN4OS — CID 175223418

IUPAC5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
SMILESC[C@H](Oc1ncc(Br)s1)C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H16BrClN4OS/c1-9(21-14-19-8-12(15)22-14)10-2-4-20(5-3-10)13-17-6-11(16)7-18-13/h6-10H,2-5H2,1H3/t9-/m0/s1
InChIKeyJGGNWXRMXHOECZ-VIFPVBQESA-N
MW403.73 g/mol
LogP4.03
Rot. Bonds4

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

5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole (PubChem CID 175223418) has the molecular formula C14H16BrClN4OS and a molecular weight of 403.73 g/mol. Its IUPAC name is 5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
PubChem CID175223418
Molecular FormulaC14H16BrClN4OS
Molecular Weight403.73 g/mol
Exact Mass401.99
IUPAC Name5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
SMILESC[C@H](Oc1ncc(Br)s1)C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H16BrClN4OS/c1-9(21-14-19-8-12(15)22-14)10-2-4-20(5-3-10)13-17-6-11(16)7-18-13/h6-10H,2-5H2,1H3/t9-/m0/s1
InChIKeyJGGNWXRMXHOECZ-VIFPVBQESA-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-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole with MolForge

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Related Compounds

5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175370745
5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175223424
5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine
CID 155179640
2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
CID 131985242
2-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 131984580
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine
CID 140577363
2-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethoxy]-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 71657254
5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
CID 131998372
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole (CID 175223418) is 5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole is C[C@H](Oc1ncc(Br)s1)C1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole?
The InChIKey is JGGNWXRMXHOECZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16BrClN4OS/c1-9(21-14-19-8-12(15)22-14)10-2-4-20(5-3-10)13-17-6-11(16)7-18-13/h6-10H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of 5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole?
5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-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-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole is sourced from PubChem (CID 175223418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).