[4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone

C19H22N6O2S — CID 18521922

IUPAC[4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone
SMILESCc1c(C(=O)c2sc(Nc3ccc(N4CCOCC4)cc3)nc2N)ncn1C
InChIInChI=1S/C19H22N6O2S/c1-12-15(21-11-24(12)2)16(26)17-18(20)23-19(28-17)22-13-3-5-14(6-4-13)25-7-9-27-10-8-25/h3-6,11H,7-10,20H2,1-2H3,(H,22,23)
InChIKeyFHICZMOCSXZQIE-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.58
Rot. Bonds5

About [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone

[4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone (PubChem CID 18521922) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone
PubChem CID18521922
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name[4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone
SMILESCc1c(C(=O)c2sc(Nc3ccc(N4CCOCC4)cc3)nc2N)ncn1C
InChIInChI=1S/C19H22N6O2S/c1-12-15(21-11-24(12)2)16(26)17-18(20)23-19(28-17)22-13-3-5-14(6-4-13)25-7-9-27-10-8-25/h3-6,11H,7-10,20H2,1-2H3,(H,22,23)
InChIKeyFHICZMOCSXZQIE-UHFFFAOYSA-N
XLogP2.58
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone 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-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 18521876
[4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(2-bromo-6-methylphenyl)methanone
CID 18521816
1-[4-[4-[[4-amino-5-(2,5-dimethylthiophene-3-carbonyl)-1,3-thiazol-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 18521904
[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
CID 10296815
[4-amino-2-[4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 11613326
1-[4-[4-[[4-amino-5-(2,6-dichlorobenzoyl)-1,3-thiazol-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 18521914
[4-amino-2-[4-(4-hydroxypiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(3-amino-4-pyrrolidin-1-ylphenyl)methanone;ethane
CID 142154082
1-[4-[4-[[4-amino-5-(1,3-benzodioxole-5-carbonyl)-1,3-thiazol-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 10183365
[4-amino-2-[4-[4-(1-hydroxyethyl)piperazin-1-yl]anilino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;methane
CID 142153960
[4-amino-2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 10275076
[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]-(3,5-difluorophenyl)methanone
CID 11641106
[4-amino-2-(4-piperazin-1-ylanilino)-1,3-thiazol-5-yl]-(3,4,5-trifluorophenyl)methanone
CID 10159965

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone?
The IUPAC name of [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone (CID 18521922) is [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone.
What is the SMILES notation for [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone?
The canonical SMILES for [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone is Cc1c(C(=O)c2sc(Nc3ccc(N4CCOCC4)cc3)nc2N)ncn1C.
What is the InChIKey of [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone?
The InChIKey is FHICZMOCSXZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-12-15(21-11-24(12)2)16(26)17-18(20)23-19(28-17)22-13-3-5-14(6-4-13)25-7-9-27-10-8-25/h3-6,11H,7-10,20H2,1-2H3,(H,22,23).
What are the key properties of [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone?
[4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone has a molecular weight of 398.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone is sourced from PubChem (CID 18521922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).