N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide

C20H24N4O2S2 — CID 11958458

IUPACN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1
InChIInChI=1S/C20H24N4O2S2/c1-5-8-12(2)18(25)24-20-21-13(3)17(28-20)15-11-27-19(23-15)22-14-9-6-7-10-16(14)26-4/h6-7,9-12H,5,8H2,1-4H3,(H,22,23)(H,21,24,25)
InChIKeyIHGJLLZSWRNUSF-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.70
Rot. Bonds8

About N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide

N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide (PubChem CID 11958458) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide
PubChem CID11958458
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC NameN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1
InChIInChI=1S/C20H24N4O2S2/c1-5-8-12(2)18(25)24-20-21-13(3)17(28-20)15-11-27-19(23-15)22-14-9-6-7-10-16(14)26-4/h6-7,9-12H,5,8H2,1-4H3,(H,22,23)(H,21,24,25)
InChIKeyIHGJLLZSWRNUSF-UHFFFAOYSA-N
XLogP5.70
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide?
The IUPAC name of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide (CID 11958458) is N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide.
What is the SMILES notation for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide?
The canonical SMILES for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide is CCCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1.
What is the InChIKey of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide?
The InChIKey is IHGJLLZSWRNUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-5-8-12(2)18(25)24-20-21-13(3)17(28-20)15-11-27-19(23-15)22-14-9-6-7-10-16(14)26-4/h6-7,9-12H,5,8H2,1-4H3,(H,22,23)(H,21,24,25).
What are the key properties of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide?
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide has a molecular weight of 416.57 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpentanamide is sourced from PubChem (CID 11958458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).