6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C17H18ClN3O2S — CID 42290409

IUPAC6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC[C@@H](COC)NC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C17H18ClN3O2S/c1-3-13(9-23-2)19-16(22)15-10-24-17-20-14(8-21(15)17)11-4-6-12(18)7-5-11/h4-8,10,13H,3,9H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyYMLBWXFMDYHBDG-ZDUSSCGKSA-N
MW363.87 g/mol
LogP3.87
Rot. Bonds6

About 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42290409) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42290409
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC[C@@H](COC)NC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C17H18ClN3O2S/c1-3-13(9-23-2)19-16(22)15-10-24-17-20-14(8-21(15)17)11-4-6-12(18)7-5-11/h4-8,10,13H,3,9H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyYMLBWXFMDYHBDG-ZDUSSCGKSA-N
XLogP3.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide 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
6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 26401845
N-(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271771
6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 25219646
N-(5-chloro-2-methylphenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270583
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 119073846
N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
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CID 42520390
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42793114
2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide
CID 42793108
N-(3,5-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271785
N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95230924

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42290409) is 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC[C@@H](COC)NC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is YMLBWXFMDYHBDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-3-13(9-23-2)19-16(22)15-10-24-17-20-14(8-21(15)17)11-4-6-12(18)7-5-11/h4-8,10,13H,3,9H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42290409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).