[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone

C18H17N3O2S — CID 167436494

IUPAC[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCOc1ccc(Nc2nc(N)c(C(=O)c3ccccc3)s2)c(C)c1
InChIInChI=1S/C18H17N3O2S/c1-11-10-13(23-2)8-9-14(11)20-18-21-17(19)16(24-18)15(22)12-6-4-3-5-7-12/h3-10H,19H2,1-2H3,(H,20,21)
InChIKeyFEGYHKNFEJAENL-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.02
Rot. Bonds5

About [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone

[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 167436494) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID167436494
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCOc1ccc(Nc2nc(N)c(C(=O)c3ccccc3)s2)c(C)c1
InChIInChI=1S/C18H17N3O2S/c1-11-10-13(23-2)8-9-14(11)20-18-21-17(19)16(24-18)15(22)12-6-4-3-5-7-12/h3-10H,19H2,1-2H3,(H,20,21)
InChIKeyFEGYHKNFEJAENL-UHFFFAOYSA-N
XLogP4.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-amino-2-(4-chloro-2-methylanilino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone
CID 46285794
[4-amino-2-(4-chloro-2-methylanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 46285848
[2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone
CID 168770997
[4-amino-2-(2-methoxyanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 50761442
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
CID 42647858
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 50761385
[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
CID 46285852
methyl 3-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzoate
CID 20590571
[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone;ethane
CID 142830675
[4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone
CID 46285749
2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine
CID 102768352

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone (CID 167436494) is [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone is COc1ccc(Nc2nc(N)c(C(=O)c3ccccc3)s2)c(C)c1.
What is the InChIKey of [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is FEGYHKNFEJAENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-10-13(23-2)8-9-14(11)20-18-21-17(19)16(24-18)15(22)12-6-4-3-5-7-12/h3-10H,19H2,1-2H3,(H,20,21).
What are the key properties of [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 339.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 167436494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).