2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide

C18H21N3OS — CID 18562197

IUPAC2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1
InChIInChI=1S/C18H21N3OS/c1-4-13(5-2)17(22)19-15-8-6-14(7-9-15)16-10-21-12(3)11-23-18(21)20-16/h6-11,13H,4-5H2,1-3H3,(H,19,22)
InChIKeyHPQTWCUTKBYQCR-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.75
Rot. Bonds5

About 2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide

2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide (PubChem CID 18562197) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide
PubChem CID18562197
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1
InChIInChI=1S/C18H21N3OS/c1-4-13(5-2)17(22)19-15-8-6-14(7-9-15)16-10-21-12(3)11-23-18(21)20-16/h6-11,13H,4-5H2,1-3H3,(H,19,22)
InChIKeyHPQTWCUTKBYQCR-UHFFFAOYSA-N
XLogP4.75
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506385
4-tert-butyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40691828
3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506377
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide
CID 43936471
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
2-benzoyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 41427247
N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-sulfamoylbenzamide
CID 7488144
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propanamide
CID 7151265
ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 170609686
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
2,3-dimethoxy-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506337
2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 46396461

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide (CID 18562197) is 2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1.
What is the InChIKey of 2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide?
The InChIKey is HPQTWCUTKBYQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-4-13(5-2)17(22)19-15-8-6-14(7-9-15)16-10-21-12(3)11-23-18(21)20-16/h6-11,13H,4-5H2,1-3H3,(H,19,22).
What are the key properties of 2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide?
2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide has a molecular weight of 327.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide is sourced from PubChem (CID 18562197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).