N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

C15H17N3O4S2 — CID 3616684

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C15H17N3O4S2/c1-11-10-16-15(23-11)17-14(19)12-3-2-4-13(9-12)24(20,21)18-5-7-22-8-6-18/h2-4,9-10H,5-8H2,1H3,(H,16,17,19)
InChIKeyFEJQFGSBUVBXLA-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.72
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 3616684) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID3616684
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C15H17N3O4S2/c1-11-10-16-15(23-11)17-14(19)12-3-2-4-13(9-12)24(20,21)18-5-7-22-8-6-18/h2-4,9-10H,5-8H2,1H3,(H,16,17,19)
InChIKeyFEJQFGSBUVBXLA-UHFFFAOYSA-N
XLogP1.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 3616684) is N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FEJQFGSBUVBXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c1-11-10-16-15(23-11)17-14(19)12-3-2-4-13(9-12)24(20,21)18-5-7-22-8-6-18/h2-4,9-10H,5-8H2,1H3,(H,16,17,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3616684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).