N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide

C24H24N4O3S2 — CID 44581718

IUPACN-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2sc(C)nc2C)cn1
InChIInChI=1S/C24H24N4O3S2/c1-16-7-5-6-8-22(16)19-9-10-20(25-13-19)15-28(21-11-12-23(31-4)26-14-21)33(29,30)24-17(2)27-18(3)32-24/h5-14H,15H2,1-4H3
InChIKeyGXUBIKBCGUCDQR-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.93
Rot. Bonds7

About N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide

N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 44581718) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide
PubChem CID44581718
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC NameN-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2sc(C)nc2C)cn1
InChIInChI=1S/C24H24N4O3S2/c1-16-7-5-6-8-22(16)19-9-10-20(25-13-19)15-28(21-11-12-23(31-4)26-14-21)33(29,30)24-17(2)27-18(3)32-24/h5-14H,15H2,1-4H3
InChIKeyGXUBIKBCGUCDQR-UHFFFAOYSA-N
XLogP4.93
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide (CID 44581718) is N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide is COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2sc(C)nc2C)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is GXUBIKBCGUCDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-16-7-5-6-8-22(16)19-9-10-20(25-13-19)15-28(21-11-12-23(31-4)26-14-21)33(29,30)24-17(2)27-18(3)32-24/h5-14H,15H2,1-4H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide?
N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 480.62 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2,4-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 44581718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).