4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine

C14H16N2O3S2 — CID 663895

IUPAC4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-11-15-14(10-20-11)12-3-2-4-13(9-12)21(17,18)16-5-7-19-8-6-16/h2-4,9-10H,5-8H2,1H3
InChIKeyWYUIDNMKJPOLKB-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.14
Rot. Bonds3

About 4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine

4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (PubChem CID 663895) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
PubChem CID663895
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-11-15-14(10-20-11)12-3-2-4-13(9-12)21(17,18)16-5-7-19-8-6-16/h2-4,9-10H,5-8H2,1H3
InChIKeyWYUIDNMKJPOLKB-UHFFFAOYSA-N
XLogP2.14
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17012719
N-[(4-methylphenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701516
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
3-[[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 1402433
2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1034342
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55362336
2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 44540681
2-methoxy-4-[(Z)-[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135650246
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314
2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 5121126
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46404196

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (CID 663895) is 4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is Cc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1.
What is the InChIKey of 4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The InChIKey is WYUIDNMKJPOLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-11-15-14(10-20-11)12-3-2-4-13(9-12)21(17,18)16-5-7-19-8-6-16/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine has a molecular weight of 324.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 663895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).