1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

C11H13N3OS — CID 116582461

IUPAC1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESO=C(Cc1cn2ccsc2n1)CC1CNC1
InChIInChI=1S/C11H13N3OS/c15-10(3-8-5-12-6-8)4-9-7-14-1-2-16-11(14)13-9/h1-2,7-8,12H,3-6H2
InChIKeyQEHBSQZLZMYDBC-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.12
Rot. Bonds4

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

1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (PubChem CID 116582461) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
PubChem CID116582461
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESO=C(Cc1cn2ccsc2n1)CC1CNC1
InChIInChI=1S/C11H13N3OS/c15-10(3-8-5-12-6-8)4-9-7-14-1-2-16-11(14)13-9/h1-2,7-8,12H,3-6H2
InChIKeyQEHBSQZLZMYDBC-UHFFFAOYSA-N
XLogP1.12
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one
CID 103986214
3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 116680767
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone
CID 116568454
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-piperidin-4-yloxypropan-2-one
CID 116571205
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
CID 115333077
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-morpholin-2-ylethanone
CID 116561830
1-(1,4-diazepan-1-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116565662
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588755
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The IUPAC name of 1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (CID 116582461) is 1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.
What is the SMILES notation for 1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The canonical SMILES for 1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is O=C(Cc1cn2ccsc2n1)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The InChIKey is QEHBSQZLZMYDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-10(3-8-5-12-6-8)4-9-7-14-1-2-16-11(14)13-9/h1-2,7-8,12H,3-6H2.
What are the key properties of 1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one has a molecular weight of 235.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is sourced from PubChem (CID 116582461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).