N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

C24H24N4O3S2 — CID 25371589

IUPACN-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C24H24N4O3S2/c1-31-21-6-4-3-5-18(21)22(29)26-19(11-13-32-2)23(30)25-17-9-7-16(8-10-17)20-15-28-12-14-33-24(28)27-20/h3-10,12,14-15,19H,11,13H2,1-2H3,(H,25,30)(H,26,29)/t19-/m0/s1
InChIKeyAWNAIOAPGMICPD-IBGZPJMESA-N
MW480.62 g/mol
LogP4.56
Rot. Bonds9

About N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide (PubChem CID 25371589) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
PubChem CID25371589
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC NameN-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C24H24N4O3S2/c1-31-21-6-4-3-5-18(21)22(29)26-19(11-13-32-2)23(30)25-17-9-7-16(8-10-17)20-15-28-12-14-33-24(28)27-20/h3-10,12,14-15,19H,11,13H2,1-2H3,(H,25,30)(H,26,29)/t19-/m0/s1
InChIKeyAWNAIOAPGMICPD-IBGZPJMESA-N
XLogP4.56
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide 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

N-[1-(4-tert-butylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 43001768
N-[1-(4-carbamoylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 17449804
N-[(2S)-1-(3-chloro-4-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 2458173
N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 8881985
N-[1-(2-hydroxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 43018299
N-[1-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55331704
N-[1-[4-(2,3-dihydroindol-1-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55963868
2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55736426
2-(2-ethoxyphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40723318
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide
CID 55693632
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide (CID 25371589) is N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The InChIKey is AWNAIOAPGMICPD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-31-21-6-4-3-5-18(21)22(29)26-19(11-13-32-2)23(30)25-17-9-7-16(8-10-17)20-15-28-12-14-33-24(28)27-20/h3-10,12,14-15,19H,11,13H2,1-2H3,(H,25,30)(H,26,29)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?
N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide has a molecular weight of 480.62 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 25371589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).