N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C18H17N3O3S2 — CID 95228911

IUPACN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCc1ccc(-c2cn3c(C(=O)N[C@@H]4C=CS(=O)(=O)C4)csc3n2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-2-12-3-5-13(6-4-12)15-9-21-16(10-25-18(21)20-15)17(22)19-14-7-8-26(23,24)11-14/h3-10,14H,2,11H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyTZQFHTOVZLMYTJ-CQSZACIVSA-N
MW387.49 g/mol
LogP2.67
Rot. Bonds4

About N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 95228911) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID95228911
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCc1ccc(-c2cn3c(C(=O)N[C@@H]4C=CS(=O)(=O)C4)csc3n2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-2-12-3-5-13(6-4-12)15-9-21-16(10-25-18(21)20-15)17(22)19-14-7-8-26(23,24)11-14/h3-10,14H,2,11H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyTZQFHTOVZLMYTJ-CQSZACIVSA-N
XLogP2.67
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45207905
6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290172
6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42519951
ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
CID 42271723
N-cycloheptyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270576
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72874953
ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 170609686
6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270471
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685
N-[(4-methoxyphenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271395
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
(3S)-N-(4-ethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 1243726

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 95228911) is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CCc1ccc(-c2cn3c(C(=O)N[C@@H]4C=CS(=O)(=O)C4)csc3n2)cc1.
What is the InChIKey of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is TZQFHTOVZLMYTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-2-12-3-5-13(6-4-12)15-9-21-16(10-25-18(21)20-15)17(22)19-14-7-8-26(23,24)11-14/h3-10,14H,2,11H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 95228911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).