methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate

C19H21N3O4S2 — CID 45184945

IUPACmethyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate
SMILESCOC(=O)C(CCSC)NC(=O)c1csc2nc(-c3ccccc3OC)cn12
InChIInChI=1S/C19H21N3O4S2/c1-25-16-7-5-4-6-12(16)14-10-22-15(11-28-19(22)21-14)17(23)20-13(8-9-27-3)18(24)26-2/h4-7,10-11,13H,8-9H2,1-3H3,(H,20,23)
InChIKeyCNJQYKBYTWABOR-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.10
Rot. Bonds8

About methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate

methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate (PubChem CID 45184945) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate
PubChem CID45184945
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Namemethyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate
SMILESCOC(=O)C(CCSC)NC(=O)c1csc2nc(-c3ccccc3OC)cn12
InChIInChI=1S/C19H21N3O4S2/c1-25-16-7-5-4-6-12(16)14-10-22-15(11-28-19(22)21-14)17(23)20-13(8-9-27-3)18(24)26-2/h4-7,10-11,13H,8-9H2,1-3H3,(H,20,23)
InChIKeyCNJQYKBYTWABOR-UHFFFAOYSA-N
XLogP3.10
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate with MolForge

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Related Compounds

methyl 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate
CID 45193501
N-[1-(dimethylamino)propan-2-yl]-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56740348
dimethyl (2R)-2-[[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]butanedioate
CID 25287668
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098
(2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119283859
6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95189802
N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
methyl (2R)-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 9089818
N-[(1-ethylimidazol-2-yl)methyl]-6-(2-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56706835
N-(2,4-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271416
ethyl (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 35526508
6-(2-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290388

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate?
The IUPAC name of methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate (CID 45184945) is methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate.
What is the SMILES notation for methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate?
The canonical SMILES for methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate is COC(=O)C(CCSC)NC(=O)c1csc2nc(-c3ccccc3OC)cn12.
What is the InChIKey of methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate?
The InChIKey is CNJQYKBYTWABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-25-16-7-5-4-6-12(16)14-10-22-15(11-28-19(22)21-14)17(23)20-13(8-9-27-3)18(24)26-2/h4-7,10-11,13H,8-9H2,1-3H3,(H,20,23).
What are the key properties of methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate?
methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate has a molecular weight of 419.53 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate is sourced from PubChem (CID 45184945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).