3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide

C16H18N4O4S2 — CID 9116131

IUPAC3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C16H18N4O4S2/c1-10-15(11(2)24-18-10)26(21,22)19-12-3-4-13-14(9-12)25-16(17-13)20-5-7-23-8-6-20/h3-4,9,19H,5-8H2,1-2H3
InChIKeyAHMFENAYHMXSSH-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.54
Rot. Bonds4

About 3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide (PubChem CID 9116131) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide
PubChem CID9116131
Molecular FormulaC16H18N4O4S2
Molecular Weight394.48 g/mol
Exact Mass394.08
IUPAC Name3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C16H18N4O4S2/c1-10-15(11(2)24-18-10)26(21,22)19-12-3-4-13-14(9-12)25-16(17-13)20-5-7-23-8-6-20/h3-4,9,19H,5-8H2,1-2H3
InChIKeyAHMFENAYHMXSSH-UHFFFAOYSA-N
XLogP2.54
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 29099805
3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 50753147
3,5-dimethyl-N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-oxazole-4-sulfonamide
CID 50839756
4-hydroxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-nitrobenzenesulfonamide
CID 39770439
1-acetyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,3-dihydroindole-5-sulfonamide
CID 24510185
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 46674615
3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide
CID 39624353
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
(2R)-1-methylsulfonyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide
CID 32622162
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25048261
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide (CID 9116131) is 3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide?
The InChIKey is AHMFENAYHMXSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c1-10-15(11(2)24-18-10)26(21,22)19-12-3-4-13-14(9-12)25-16(17-13)20-5-7-23-8-6-20/h3-4,9,19H,5-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide has a molecular weight of 394.48 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 9116131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).