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

C18H21N3O2S — CID 91640538

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCC(C)[C@@H](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)/t16-/m1/s1
InChIKeyKIXPBOIPEUURGN-MRXNPFEDSA-N
MW343.45 g/mol
LogP2.74
Rot. Bonds6

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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 91640538) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID91640538
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCC(C)[C@@H](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)/t16-/m1/s1
InChIKeyKIXPBOIPEUURGN-MRXNPFEDSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 91640538) is N-[(2S)-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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is CC(C)[C@@H](CO)NC(=O)Cc1csc2nc(-c3ccccc3)cn12.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is KIXPBOIPEUURGN-MRXNPFEDSA-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)/t16-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-[(2S)-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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 91640538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).