N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H21N3O3S2 — CID 45207905

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCc1ccc(-c2cn3c(C(=O)NCC4CCS(=O)(=O)C4)csc3n2)cc1
InChIInChI=1S/C19H21N3O3S2/c1-2-13-3-5-15(6-4-13)16-10-22-17(11-26-19(22)21-16)18(23)20-9-14-7-8-27(24,25)12-14/h3-6,10-11,14H,2,7-9,12H2,1H3,(H,20,23)
InChIKeyQQHNYQVMFLLDQP-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.79
Rot. Bonds5

About N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 45207905) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID45207905
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCc1ccc(-c2cn3c(C(=O)NCC4CCS(=O)(=O)C4)csc3n2)cc1
InChIInChI=1S/C19H21N3O3S2/c1-2-13-3-5-15(6-4-13)16-10-22-17(11-26-19(22)21-16)18(23)20-9-14-7-8-27(24,25)12-14/h3-6,10-11,14H,2,7-9,12H2,1H3,(H,20,23)
InChIKeyQQHNYQVMFLLDQP-UHFFFAOYSA-N
XLogP2.79
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95228911
6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42519951
6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290172
6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45212982
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 17398664
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 17421007
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
N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270327
6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95199757
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methylpyridine-2-carboxamide
CID 47157029
4-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-1-ethylpyrrole-2-carboxamide
CID 54914323

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 45207905) is N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CCc1ccc(-c2cn3c(C(=O)NCC4CCS(=O)(=O)C4)csc3n2)cc1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is QQHNYQVMFLLDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-2-13-3-5-15(6-4-13)16-10-22-17(11-26-19(22)21-16)18(23)20-9-14-7-8-27(24,25)12-14/h3-6,10-11,14H,2,7-9,12H2,1H3,(H,20,23).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 45207905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).