5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C19H17BrN2O3S2 — CID 53060433

IUPAC5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(Br)cc2)CC3)c1
InChIInChI=1S/C19H17BrN2O3S2/c1-25-15-4-2-3-13(11-15)19-21-17-9-10-22(12-18(17)26-19)27(23,24)16-7-5-14(20)6-8-16/h2-8,11H,9-10,12H2,1H3
InChIKeyFNSUPBJTTZPBQZ-UHFFFAOYSA-N
MW465.39 g/mol
LogP4.33
Rot. Bonds4

About 5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 53060433) has the molecular formula C19H17BrN2O3S2 and a molecular weight of 465.39 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID53060433
Molecular FormulaC19H17BrN2O3S2
Molecular Weight465.39 g/mol
Exact Mass463.99
IUPAC Name5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(Br)cc2)CC3)c1
InChIInChI=1S/C19H17BrN2O3S2/c1-25-15-4-2-3-13(11-15)19-21-17-9-10-22(12-18(17)26-19)27(23,24)16-7-5-14(20)6-8-16/h2-8,11H,9-10,12H2,1H3
InChIKeyFNSUPBJTTZPBQZ-UHFFFAOYSA-N
XLogP4.33
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 53060433) is 5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(Br)cc2)CC3)c1.
What is the InChIKey of 5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is FNSUPBJTTZPBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S2/c1-25-15-4-2-3-13(11-15)19-21-17-9-10-22(12-18(17)26-19)27(23,24)16-7-5-14(20)6-8-16/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 465.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 53060433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).