4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

C20H20ClN3O4S3 — CID 24598514

IUPAC4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2csc(COc3ccc(Cl)cc3)n2)nc1)N1CCOCC1
InChIInChI=1S/C20H20ClN3O4S3/c21-15-1-3-17(4-2-15)28-12-20-23-16(14-30-20)13-29-19-6-5-18(11-22-19)31(25,26)24-7-9-27-10-8-24/h1-6,11,14H,7-10,12-13H2
InChIKeyIOVSBCCZWQHNIQ-UHFFFAOYSA-N
MW498.05 g/mol
LogP4.08
Rot. Bonds8

About 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 24598514) has the molecular formula C20H20ClN3O4S3 and a molecular weight of 498.05 g/mol. Its IUPAC name is 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID24598514
Molecular FormulaC20H20ClN3O4S3
Molecular Weight498.05 g/mol
Exact Mass497.03
IUPAC Name4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2csc(COc3ccc(Cl)cc3)n2)nc1)N1CCOCC1
InChIInChI=1S/C20H20ClN3O4S3/c21-15-1-3-17(4-2-15)28-12-20-23-16(14-30-20)13-29-19-6-5-18(11-22-19)31(25,26)24-7-9-27-10-8-24/h1-6,11,14H,7-10,12-13H2
InChIKeyIOVSBCCZWQHNIQ-UHFFFAOYSA-N
XLogP4.08
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine with MolForge

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Related Compounds

4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 16571041
4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 60593593
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
CID 46815210
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55540758
2-[2-(4-chlorophenyl)sulfanylethylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7603003
N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 38969728
[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 16595708
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 7570076

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (CID 24598514) is 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(SCc2csc(COc3ccc(Cl)cc3)n2)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is IOVSBCCZWQHNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S3/c21-15-1-3-17(4-2-15)28-12-20-23-16(14-30-20)13-29-19-6-5-18(11-22-19)31(25,26)24-7-9-27-10-8-24/h1-6,11,14H,7-10,12-13H2.
What are the key properties of 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 498.05 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 24598514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).