1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one

C12H14N2O2S — CID 103986214

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one
SMILESO=C(Cc1cn2ccsc2n1)CC1CCOC1
InChIInChI=1S/C12H14N2O2S/c15-11(5-9-1-3-16-8-9)6-10-7-14-2-4-17-12(14)13-10/h2,4,7,9H,1,3,5-6,8H2
InChIKeyNCKLGDZEWFVJAN-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.93
Rot. Bonds4

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one (PubChem CID 103986214) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one
PubChem CID103986214
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one
SMILESO=C(Cc1cn2ccsc2n1)CC1CCOC1
InChIInChI=1S/C12H14N2O2S/c15-11(5-9-1-3-16-8-9)6-10-7-14-2-4-17-12(14)13-10/h2,4,7,9H,1,3,5-6,8H2
InChIKeyNCKLGDZEWFVJAN-UHFFFAOYSA-N
XLogP1.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986225
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386305
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386304
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-piperidin-4-yloxypropan-2-one
CID 116571205
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91784775
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588755
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163334581
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
CID 115333077

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one (CID 103986214) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one is O=C(Cc1cn2ccsc2n1)CC1CCOC1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one?
The InChIKey is NCKLGDZEWFVJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-11(5-9-1-3-16-8-9)6-10-7-14-2-4-17-12(14)13-10/h2,4,7,9H,1,3,5-6,8H2.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one?
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one has a molecular weight of 250.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 103986214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).