4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide

C16H21N3O3S2 — CID 6447118

IUPAC4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NC/C(=C\CN3CCOCC3)S2)cc1
InChIInChI=1S/C16H21N3O3S2/c1-13-2-4-15(5-3-13)24(20,21)18-16-17-12-14(23-16)6-7-19-8-10-22-11-9-19/h2-6H,7-12H2,1H3,(H,17,18)/b14-6+
InChIKeyWTBYRVACFSXZNK-MKMNVTDBSA-N
MW367.50 g/mol
LogP1.59
Rot. Bonds4

About 4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide

4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 6447118) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID6447118
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NC/C(=C\CN3CCOCC3)S2)cc1
InChIInChI=1S/C16H21N3O3S2/c1-13-2-4-15(5-3-13)24(20,21)18-16-17-12-14(23-16)6-7-19-8-10-22-11-9-19/h2-6H,7-12H2,1H3,(H,17,18)/b14-6+
InChIKeyWTBYRVACFSXZNK-MKMNVTDBSA-N
XLogP1.59
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide (CID 6447118) is 4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NC/C(=C\CN3CCOCC3)S2)cc1.
What is the InChIKey of 4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is WTBYRVACFSXZNK-MKMNVTDBSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-13-2-4-15(5-3-13)24(20,21)18-16-17-12-14(23-16)6-7-19-8-10-22-11-9-19/h2-6H,7-12H2,1H3,(H,17,18)/b14-6+.
What are the key properties of 4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide?
4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 367.50 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 6447118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).