[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone

C21H20N4O2S — CID 46285705

IUPAC[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3sc(Nc4cc(C)cc(C)c4)nc3N)c2c1
InChIInChI=1S/C21H20N4O2S/c1-11-6-12(2)8-13(7-11)24-21-25-20(22)19(28-21)18(26)16-10-23-17-5-4-14(27-3)9-15(16)17/h4-10,23H,22H2,1-3H3,(H,24,25)
InChIKeyFKQHPNOKUOUFEF-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.81
Rot. Bonds5

About [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone

[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 46285705) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID46285705
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3sc(Nc4cc(C)cc(C)c4)nc3N)c2c1
InChIInChI=1S/C21H20N4O2S/c1-11-6-12(2)8-13(7-11)24-21-25-20(22)19(28-21)18(26)16-10-23-17-5-4-14(27-3)9-15(16)17/h4-10,23H,22H2,1-3H3,(H,24,25)
InChIKeyFKQHPNOKUOUFEF-UHFFFAOYSA-N
XLogP4.81
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone with MolForge

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Related Compounds

[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
CID 46285711
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
CID 50761488
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
[4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone
CID 46285749
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 167436494
[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 46285896
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone (CID 46285705) is [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)c3sc(Nc4cc(C)cc(C)c4)nc3N)c2c1.
What is the InChIKey of [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is FKQHPNOKUOUFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-11-6-12(2)8-13(7-11)24-21-25-20(22)19(28-21)18(26)16-10-23-17-5-4-14(27-3)9-15(16)17/h4-10,23H,22H2,1-3H3,(H,24,25).
What are the key properties of [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone?
[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone has a molecular weight of 392.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 46285705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).