6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C17H18ClN3O2S — CID 26401845

IUPAC6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOC(C)(C)CNC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C17H18ClN3O2S/c1-17(2,23-3)10-19-15(22)14-9-24-16-20-13(8-21(14)16)11-4-6-12(18)7-5-11/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyBZCXAXCYDFZYCC-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.87
Rot. Bonds5

About 6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 26401845) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID26401845
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOC(C)(C)CNC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C17H18ClN3O2S/c1-17(2,23-3)10-19-15(22)14-9-24-16-20-13(8-21(14)16)11-4-6-12(18)7-5-11/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyBZCXAXCYDFZYCC-UHFFFAOYSA-N
XLogP3.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

6-(4-chlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42520390
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CID 42290409
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
methyl 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate
CID 45193501
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45212982
6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95199757
N-(3,5-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271785
N-[(4-methoxyphenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271395
6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42287930

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 26401845) is 6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is COC(C)(C)CNC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is BZCXAXCYDFZYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-17(2,23-3)10-19-15(22)14-9-24-16-20-13(8-21(14)16)11-4-6-12(18)7-5-11/h4-9H,10H2,1-3H3,(H,19,22).
What are the key properties of 6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 26401845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).