2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole

C16H15BrN2OS — CID 126195533

IUPAC2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole
SMILESBrc1cc(-c2nc3ccccc3s2)oc1N1CCCCC1
InChIInChI=1S/C16H15BrN2OS/c17-11-10-13(20-16(11)19-8-4-1-5-9-19)15-18-12-6-2-3-7-14(12)21-15/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyOVVFUJBUFZLKOV-UHFFFAOYSA-N
MW363.28 g/mol
LogP5.31
Rot. Bonds2

About 2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole

2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole (PubChem CID 126195533) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole
PubChem CID126195533
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC Name2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole
SMILESBrc1cc(-c2nc3ccccc3s2)oc1N1CCCCC1
InChIInChI=1S/C16H15BrN2OS/c17-11-10-13(20-16(11)19-8-4-1-5-9-19)15-18-12-6-2-3-7-14(12)21-15/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyOVVFUJBUFZLKOV-UHFFFAOYSA-N
XLogP5.31
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.28
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 112789748
3-(1,3-benzothiazol-2-yl)-8-pyrrolidin-1-ylbenzo[g]chromen-2-one
CID 137366846
2-(3-nitro-4-piperidin-1-ylphenyl)-1,3-benzothiazole
CID 126199871
3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 60525800
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
3-(1,3-benzothiazol-2-yl)-6,8-dibromochromen-2-one
CID 3608615
2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole
CID 16649177
5-(1,3-benzothiazol-2-yl)-2-bromoaniline
CID 762786
3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one
CID 135399387
2-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
CID 2130217
cis-(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677630

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole (CID 126195533) is 2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole is Brc1cc(-c2nc3ccccc3s2)oc1N1CCCCC1.
What is the InChIKey of 2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole?
The InChIKey is OVVFUJBUFZLKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c17-11-10-13(20-16(11)19-8-4-1-5-9-19)15-18-12-6-2-3-7-14(12)21-15/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole?
2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole has a molecular weight of 363.28 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 126195533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).