6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H22N4O3S — CID 95189802

IUPAC6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCNC(=O)C[C@@H](C)N(C)C(=O)c1csc2nc(-c3ccccc3OC)cn12
InChIInChI=1S/C19H22N4O3S/c1-12(9-17(24)20-2)22(3)18(25)15-11-27-19-21-14(10-23(15)19)13-7-5-6-8-16(13)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,24)/t12-/m1/s1
InChIKeyINJDDTWCHHNUKF-GFCCVEGCSA-N
MW386.48 g/mol
LogP2.67
Rot. Bonds6

About 6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 95189802) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID95189802
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCNC(=O)C[C@@H](C)N(C)C(=O)c1csc2nc(-c3ccccc3OC)cn12
InChIInChI=1S/C19H22N4O3S/c1-12(9-17(24)20-2)22(3)18(25)15-11-27-19-21-14(10-23(15)19)13-7-5-6-8-16(13)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,24)/t12-/m1/s1
InChIKeyINJDDTWCHHNUKF-GFCCVEGCSA-N
XLogP2.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56740348
6-(2-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290388
N-[(1-ethylimidazol-2-yl)methyl]-6-(2-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56706835
methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate
CID 45184945
6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56710524
6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95195402
N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270495
N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
N-ethyl-6-(4-methoxyphenyl)-N-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270700
dimethyl (2R)-2-[[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]butanedioate
CID 25287668
ethyl 2-[6-(2-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 19224615
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 95189802) is 6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CNC(=O)C[C@@H](C)N(C)C(=O)c1csc2nc(-c3ccccc3OC)cn12.
What is the InChIKey of 6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is INJDDTWCHHNUKF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12(9-17(24)20-2)22(3)18(25)15-11-27-19-21-14(10-23(15)19)13-7-5-6-8-16(13)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,24)/t12-/m1/s1.
What are the key properties of 6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 95189802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).