4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol

C19H18N2O4S2 — CID 135687417

IUPAC4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol
SMILESO=S(=O)(c1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C19H18N2O4S2/c22-16-5-1-15(2-6-16)19-20-18(13-26-19)14-3-7-17(8-4-14)27(23,24)21-9-11-25-12-10-21/h1-8,13,22H,9-12H2
InChIKeyAGFHYKNEBFWXIZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.20
Rot. Bonds4

About 4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol

4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol (PubChem CID 135687417) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol
PubChem CID135687417
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Name4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol
SMILESO=S(=O)(c1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C19H18N2O4S2/c22-16-5-1-15(2-6-16)19-20-18(13-26-19)14-3-7-17(8-4-14)27(23,24)21-9-11-25-12-10-21/h1-8,13,22H,9-12H2
InChIKeyAGFHYKNEBFWXIZ-UHFFFAOYSA-N
XLogP3.20
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine
CID 86895900
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole
CID 5121122
2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1033169
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548
4-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
CID 43001422
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19114743
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 5114730
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine
CID 139582355
4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole
CID 171703804
N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 110826546
1-(4-methoxyphenyl)-2-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]ethanone
CID 158335726
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol (CID 135687417) is 4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol is O=S(=O)(c1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is AGFHYKNEBFWXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c22-16-5-1-15(2-6-16)19-20-18(13-26-19)14-3-7-17(8-4-14)27(23,24)21-9-11-25-12-10-21/h1-8,13,22H,9-12H2.
What are the key properties of 4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol?
4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 402.50 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 135687417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).