(5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C16H17BrN2O2S — CID 110628740

IUPAC(5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(Br)cc1C(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C16H17BrN2O2S/c1-21-14-3-2-12(17)10-13(14)16(20)19-7-4-11(5-8-19)15-18-6-9-22-15/h2-3,6,9-11H,4-5,7-8H2,1H3
InChIKeyUIKKGQYKEPJDPD-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.93
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110628740) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110628740
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC Name(5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(Br)cc1C(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C16H17BrN2O2S/c1-21-14-3-2-12(17)10-13(14)16(20)19-7-4-11(5-8-19)15-18-6-9-22-15/h2-3,6,9-11H,4-5,7-8H2,1H3
InChIKeyUIKKGQYKEPJDPD-UHFFFAOYSA-N
XLogP3.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289762
2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289792
(5-bromo-2-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 113241159
2-(2-methoxyphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289796
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110289798
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 110289836
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
3-(3-bromo-4-methoxyphenyl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 56532952
[4-(bromomethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 80678390

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110628740) is (5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is COc1ccc(Br)cc1C(=O)N1CCC(c2nccs2)CC1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is UIKKGQYKEPJDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c1-21-14-3-2-12(17)10-13(14)16(20)19-7-4-11(5-8-19)15-18-6-9-22-15/h2-3,6,9-11H,4-5,7-8H2,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 381.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110628740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).