6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide

C17H18N4O3S3 — CID 2738742

IUPAC6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H18N4O3S3/c22-27(23,14-3-4-16(18-11-14)21-5-7-24-8-6-21)19-10-13-12-26-17(20-13)15-2-1-9-25-15/h1-4,9,11-12,19H,5-8,10H2
InChIKeyZBACUFJHKRZWAR-UHFFFAOYSA-N
MW422.56 g/mol
LogP2.58
Rot. Bonds6

About 6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide

6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 2738742) has the molecular formula C17H18N4O3S3 and a molecular weight of 422.56 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID2738742
Molecular FormulaC17H18N4O3S3
Molecular Weight422.56 g/mol
Exact Mass422.05
IUPAC Name6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H18N4O3S3/c22-27(23,14-3-4-16(18-11-14)21-5-7-24-8-6-21)19-10-13-12-26-17(20-13)15-2-1-9-25-15/h1-4,9,11-12,19H,5-8,10H2
InChIKeyZBACUFJHKRZWAR-UHFFFAOYSA-N
XLogP2.58
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide (CID 2738742) is 6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is ZBACUFJHKRZWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S3/c22-27(23,14-3-4-16(18-11-14)21-5-7-24-8-6-21)19-10-13-12-26-17(20-13)15-2-1-9-25-15/h1-4,9,11-12,19H,5-8,10H2.
What are the key properties of 6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 422.56 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 2738742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).