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

C19H17ClN2O3S2 — CID 53033224

IUPAC5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccc(Cl)c2)CC3)c1
InChIInChI=1S/C19H17ClN2O3S2/c1-25-15-6-2-4-13(10-15)19-21-17-8-9-22(12-18(17)26-19)27(23,24)16-7-3-5-14(20)11-16/h2-7,10-11H,8-9,12H2,1H3
InChIKeyRGJFCAGEPBEUGP-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.22
Rot. Bonds4

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

5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 53033224) has the molecular formula C19H17ClN2O3S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID53033224
Molecular FormulaC19H17ClN2O3S2
Molecular Weight420.94 g/mol
Exact Mass420.04
IUPAC Name5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccc(Cl)c2)CC3)c1
InChIInChI=1S/C19H17ClN2O3S2/c1-25-15-6-2-4-13(10-15)19-21-17-8-9-22(12-18(17)26-19)27(23,24)16-7-3-5-14(20)11-16/h2-7,10-11H,8-9,12H2,1H3
InChIKeyRGJFCAGEPBEUGP-UHFFFAOYSA-N
XLogP4.22
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 53033224) is 5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccc(Cl)c2)CC3)c1.
What is the InChIKey of 5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is RGJFCAGEPBEUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S2/c1-25-15-6-2-4-13(10-15)19-21-17-8-9-22(12-18(17)26-19)27(23,24)16-7-3-5-14(20)11-16/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 420.94 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 53033224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).