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

C20H23N3O2S — CID 42519951

IUPAC6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCc1ccc(-c2cn3c(C(=O)N(C)C4CCOCC4)csc3n2)cc1
InChIInChI=1S/C20H23N3O2S/c1-3-14-4-6-15(7-5-14)17-12-23-18(13-26-20(23)21-17)19(24)22(2)16-8-10-25-11-9-16/h4-7,12-13,16H,3,8-11H2,1-2H3
InChIKeyVLSVFHACIDZACT-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.88
Rot. Bonds4

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

6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42519951) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42519951
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCc1ccc(-c2cn3c(C(=O)N(C)C4CCOCC4)csc3n2)cc1
InChIInChI=1S/C20H23N3O2S/c1-3-14-4-6-15(7-5-14)17-12-23-18(13-26-20(23)21-17)19(24)22(2)16-8-10-25-11-9-16/h4-7,12-13,16H,3,8-11H2,1-2H3
InChIKeyVLSVFHACIDZACT-UHFFFAOYSA-N
XLogP3.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42147819
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-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 26392831
N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270495
6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290172
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 50839474
6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95199757
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide
CID 50839394
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 25287122
N-ethyl-6-(4-methoxyphenyl)-N-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270700
N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270462

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42519951) is 6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CCc1ccc(-c2cn3c(C(=O)N(C)C4CCOCC4)csc3n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is VLSVFHACIDZACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-3-14-4-6-15(7-5-14)17-12-23-18(13-26-20(23)21-17)19(24)22(2)16-8-10-25-11-9-16/h4-7,12-13,16H,3,8-11H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42519951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).