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

C22H21N3OS — CID 43936471

IUPACN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1)c1ccccc1
InChIInChI=1S/C22H21N3OS/c1-3-19(16-8-5-4-6-9-16)21(26)23-18-11-7-10-17(12-18)20-13-25-15(2)14-27-22(25)24-20/h4-14,19H,3H2,1-2H3,(H,23,26)
InChIKeyPSAOEZUONHCWGF-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.50
Rot. Bonds5

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

N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide (PubChem CID 43936471) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide
PubChem CID43936471
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC NameN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1)c1ccccc1
InChIInChI=1S/C22H21N3OS/c1-3-19(16-8-5-4-6-9-16)21(26)23-18-11-7-10-17(12-18)20-13-25-15(2)14-27-22(25)24-20/h4-14,19H,3H2,1-2H3,(H,23,26)
InChIKeyPSAOEZUONHCWGF-UHFFFAOYSA-N
XLogP5.50
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propanamide
CID 7151265
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 43936475
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 41427141
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pentanamide
CID 7151267
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
CID 40691824
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294
(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide
CID 7151320
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclopropanecarboxamide
CID 18562185
(2R)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenylbutanamide
CID 7080187
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
CID 7151322

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide (CID 43936471) is N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1)c1ccccc1.
What is the InChIKey of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide?
The InChIKey is PSAOEZUONHCWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-3-19(16-8-5-4-6-9-16)21(26)23-18-11-7-10-17(12-18)20-13-25-15(2)14-27-22(25)24-20/h4-14,19H,3H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide?
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide has a molecular weight of 375.50 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 43936471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).