N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide

C17H21N3OS — CID 98260408

IUPACN-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)CCc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C17H21N3OS/c1-12(19-13(2)21)3-4-14-5-7-15(8-6-14)16-11-22-17-18-9-10-20(16)17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyHLIPJYAUHDFXMS-GFCCVEGCSA-N
MW315.44 g/mol
LogP2.86
Rot. Bonds5

About N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide

N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide (PubChem CID 98260408) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide
PubChem CID98260408
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)CCc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C17H21N3OS/c1-12(19-13(2)21)3-4-14-5-7-15(8-6-14)16-11-22-17-18-9-10-20(16)17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyHLIPJYAUHDFXMS-GFCCVEGCSA-N
XLogP2.86
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 95142326
N-[4-[4-(2-chloroacetyl)phenyl]butan-2-yl]acetamide
CID 4962168
N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 9173902
3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide
CID 15563871
2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 9174080
N-(2-acetamidoethyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800580
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 17433939
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
N-[(2S)-4-[4-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750846
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 99639698

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide (CID 98260408) is N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide is CC(=O)N[C@H](C)CCc1ccc(C2=CSC3=NCCN23)cc1.
What is the InChIKey of N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide?
The InChIKey is HLIPJYAUHDFXMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12(19-13(2)21)3-4-14-5-7-15(8-6-14)16-11-22-17-18-9-10-20(16)17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide?
N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 98260408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).