N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide

C15H17N3O2S — CID 53264833

IUPACN-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
SMILESCc1ccc(CNC(=O)CC2SC3=NCCN3C2=O)cc1
InChIInChI=1S/C15H17N3O2S/c1-10-2-4-11(5-3-10)9-17-13(19)8-12-14(20)18-7-6-16-15(18)21-12/h2-5,12H,6-9H2,1H3,(H,17,19)
InChIKeyDJXJTEUTXUWNGT-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.31
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide

N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide (PubChem CID 53264833) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
PubChem CID53264833
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
SMILESCc1ccc(CNC(=O)CC2SC3=NCCN3C2=O)cc1
InChIInChI=1S/C15H17N3O2S/c1-10-2-4-11(5-3-10)9-17-13(19)8-12-14(20)18-7-6-16-15(18)21-12/h2-5,12H,6-9H2,1H3,(H,17,19)
InChIKeyDJXJTEUTXUWNGT-UHFFFAOYSA-N
XLogP1.31
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2951375
N-(3,5-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264916
N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264948
methyl 2-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]thiophene-3-carboxylate
CID 52900547
N-(2,4-dimethoxyphenyl)-2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 51859796
2-hydroxy-4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoic acid
CID 43826898
2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid
CID 27404541
N-(3-chloro-2-methylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264908
N-[4-(diethylamino)phenyl]-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264964
methyl 4-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]benzoate
CID 53264941
N-(2-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264873
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 53264892

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide (CID 53264833) is N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide is Cc1ccc(CNC(=O)CC2SC3=NCCN3C2=O)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide?
The InChIKey is DJXJTEUTXUWNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-2-4-11(5-3-10)9-17-13(19)8-12-14(20)18-7-6-16-15(18)21-12/h2-5,12H,6-9H2,1H3,(H,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide?
N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide has a molecular weight of 303.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 53264833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).