[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone

C20H21N3OS — CID 46285896

IUPAC[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cccc(Nc2nc(N)c(C(=O)c3c(C)cc(C)cc3C)s2)c1
InChIInChI=1S/C20H21N3OS/c1-11-6-5-7-15(10-11)22-20-23-19(21)18(25-20)17(24)16-13(3)8-12(2)9-14(16)4/h5-10H,21H2,1-4H3,(H,22,23)
InChIKeyQWLWGNPCIGMUIK-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.93
Rot. Bonds4

About [4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone

[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 46285896) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is [4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
PubChem CID46285896
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cccc(Nc2nc(N)c(C(=O)c3c(C)cc(C)cc3C)s2)c1
InChIInChI=1S/C20H21N3OS/c1-11-6-5-7-15(10-11)22-20-23-19(21)18(25-20)17(24)16-13(3)8-12(2)9-14(16)4/h5-10H,21H2,1-4H3,(H,22,23)
InChIKeyQWLWGNPCIGMUIK-UHFFFAOYSA-N
XLogP4.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576
[4-amino-2-(3-bromoanilino)-1,3-thiazol-5-yl]-(2,4-dimethylphenyl)methanone
CID 46285782
[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone
CID 46285574
[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
CID 46285711
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 50761385
4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668929
tert-butyl 3-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzoate
CID 21307328
methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate
CID 106696860
[4-amino-2-(4-bromoanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 46285835
[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
CID 46285852
[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
CID 50761488

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone (CID 46285896) is [4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone is Cc1cccc(Nc2nc(N)c(C(=O)c3c(C)cc(C)cc3C)s2)c1.
What is the InChIKey of [4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is QWLWGNPCIGMUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-11-6-5-7-15(10-11)22-20-23-19(21)18(25-20)17(24)16-13(3)8-12(2)9-14(16)4/h5-10H,21H2,1-4H3,(H,22,23).
What are the key properties of [4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone?
[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 351.48 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 46285896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).