N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C18H21N3O2S — CID 91822666

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCC(C)C(CO)NC(=O)Cc1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C18H21N3O2S/c1-12(2)16(10-22)19-17(23)8-14-11-24-18-20-15(9-21(14)18)13-6-4-3-5-7-13/h3-7,9,11-12,16,22H,8,10H2,1-2H3,(H,19,23)
InChIKeyKIXPBOIPEUURGN-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.74
Rot. Bonds6

About N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 91822666) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID91822666
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCC(C)C(CO)NC(=O)Cc1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C18H21N3O2S/c1-12(2)16(10-22)19-17(23)8-14-11-24-18-20-15(9-21(14)18)13-6-4-3-5-7-13/h3-7,9,11-12,16,22H,8,10H2,1-2H3,(H,19,23)
InChIKeyKIXPBOIPEUURGN-UHFFFAOYSA-N
XLogP2.74
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 91640538
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25352341
N-[1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 42928562
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25389385
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 121038517
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
CID 38231605
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 10644114
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
N-[2-(diethylamino)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522369
N-[[4-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165
diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium
CID 7522370
N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 91822666) is N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is CC(C)C(CO)NC(=O)Cc1csc2nc(-c3ccccc3)cn12.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is KIXPBOIPEUURGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12(2)16(10-22)19-17(23)8-14-11-24-18-20-15(9-21(14)18)13-6-4-3-5-7-13/h3-7,9,11-12,16,22H,8,10H2,1-2H3,(H,19,23).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 91822666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).