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

C22H19N3O2S2 — CID 159737921

IUPAC2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone
SMILESCOc1ccccc1Nc1nc(-c2sc(CC(=O)c3ccccc3)nc2C)cs1
InChIInChI=1S/C22H19N3O2S2/c1-14-21(29-20(23-14)12-18(26)15-8-4-3-5-9-15)17-13-28-22(25-17)24-16-10-6-7-11-19(16)27-2/h3-11,13H,12H2,1-2H3,(H,24,25)
InChIKeyNCBNDLPESXSMMP-UHFFFAOYSA-N
MW421.55 g/mol
LogP5.75
Rot. Bonds7

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

2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone (PubChem CID 159737921) has the molecular formula C22H19N3O2S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone
PubChem CID159737921
Molecular FormulaC22H19N3O2S2
Molecular Weight421.55 g/mol
Exact Mass421.09
IUPAC Name2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone
SMILESCOc1ccccc1Nc1nc(-c2sc(CC(=O)c3ccccc3)nc2C)cs1
InChIInChI=1S/C22H19N3O2S2/c1-14-21(29-20(23-14)12-18(26)15-8-4-3-5-9-15)17-13-28-22(25-17)24-16-10-6-7-11-19(16)27-2/h3-11,13H,12H2,1-2H3,(H,24,25)
InChIKeyNCBNDLPESXSMMP-UHFFFAOYSA-N
XLogP5.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone with MolForge

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Related Compounds

N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 71478258
2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 39362974
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
N-[5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 11958454
N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 2226077
methyl 3-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 8962499
3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764174
4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3877402
4-(1-benzofuran-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 684498
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylbenzoic acid
CID 126619412
N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]heptanamide
CID 11958609

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone?
The IUPAC name of 2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone (CID 159737921) is 2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone is COc1ccccc1Nc1nc(-c2sc(CC(=O)c3ccccc3)nc2C)cs1.
What is the InChIKey of 2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone?
The InChIKey is NCBNDLPESXSMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S2/c1-14-21(29-20(23-14)12-18(26)15-8-4-3-5-9-15)17-13-28-22(25-17)24-16-10-6-7-11-19(16)27-2/h3-11,13H,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone?
2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone has a molecular weight of 421.55 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone is sourced from PubChem (CID 159737921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).