N-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide

C24H29FN4O4S2 — CID 130383865

IUPACN-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1c(C)cncc1F
InChIInChI=1S/C24H29FN4O4S2/c1-14-12-26-13-19(25)22(14)29-35(30,31)21-11-18(5-6-20(21)32-4)23-16(3)28-24(34-23)27-15(2)17-7-9-33-10-8-17/h5-6,11-13,15,17H,7-10H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyGPLLZFXGUWIVDD-UHFFFAOYSA-N
MW520.65 g/mol
LogP5.00
Rot. Bonds8

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

N-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide (PubChem CID 130383865) has the molecular formula C24H29FN4O4S2 and a molecular weight of 520.65 g/mol. Its IUPAC name is N-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
PubChem CID130383865
Molecular FormulaC24H29FN4O4S2
Molecular Weight520.65 g/mol
Exact Mass520.16
IUPAC NameN-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1c(C)cncc1F
InChIInChI=1S/C24H29FN4O4S2/c1-14-12-26-13-19(25)22(14)29-35(30,31)21-11-18(5-6-20(21)32-4)23-16(3)28-24(34-23)27-15(2)17-7-9-33-10-8-17/h5-6,11-13,15,17H,7-10H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyGPLLZFXGUWIVDD-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-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide (CID 130383865) is N-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide is COc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1c(C)cncc1F.
What is the InChIKey of N-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
The InChIKey is GPLLZFXGUWIVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4S2/c1-14-12-26-13-19(25)22(14)29-35(30,31)21-11-18(5-6-20(21)32-4)23-16(3)28-24(34-23)27-15(2)17-7-9-33-10-8-17/h5-6,11-13,15,17H,7-10H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of N-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
N-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide 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-(3-fluoro-5-methyl-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 130383865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).