N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide

C24H29FN4O4S2 — CID 130383719

IUPACN-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide
SMILESCOc1ncc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C24H29FN4O4S2/c1-14-11-19(25)5-6-20(14)29-35(30,31)21-12-18(13-26-23(21)32-4)22-16(3)28-24(34-22)27-15(2)17-7-9-33-10-8-17/h5-6,11-13,15,17,29H,7-10H2,1-4H3,(H,27,28)
InChIKeyLKGOZKXPQXVUPY-UHFFFAOYSA-N
MW520.65 g/mol
LogP5.00
Rot. Bonds8

About N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide

N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide (PubChem CID 130383719) has the molecular formula C24H29FN4O4S2 and a molecular weight of 520.65 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide
PubChem CID130383719
Molecular FormulaC24H29FN4O4S2
Molecular Weight520.65 g/mol
Exact Mass520.16
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide
SMILESCOc1ncc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C24H29FN4O4S2/c1-14-11-19(25)5-6-20(14)29-35(30,31)21-12-18(13-26-23(21)32-4)22-16(3)28-24(34-22)27-15(2)17-7-9-33-10-8-17/h5-6,11-13,15,17,29H,7-10H2,1-4H3,(H,27,28)
InChIKeyLKGOZKXPQXVUPY-UHFFFAOYSA-N
XLogP5.00
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.65
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide (CID 130383719) is N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide is COc1ncc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(F)cc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
The InChIKey is LKGOZKXPQXVUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4S2/c1-14-11-19(25)5-6-20(14)29-35(30,31)21-12-18(13-26-23(21)32-4)22-16(3)28-24(34-22)27-15(2)17-7-9-33-10-8-17/h5-6,11-13,15,17,29H,7-10H2,1-4H3,(H,27,28).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide has a molecular weight of 520.65 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 130383719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).