3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one

C12H14N2OS — CID 115792010

IUPAC3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
SMILESCC(C(=O)Cc1cn2ccsc2n1)C1CC1
InChIInChI=1S/C12H14N2OS/c1-8(9-2-3-9)11(15)6-10-7-14-4-5-16-12(14)13-10/h4-5,7-9H,2-3,6H2,1H3
InChIKeyKQAMZTVOTRAYHE-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.55
Rot. Bonds4

About 3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one

3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one (PubChem CID 115792010) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
PubChem CID115792010
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
SMILESCC(C(=O)Cc1cn2ccsc2n1)C1CC1
InChIInChI=1S/C12H14N2OS/c1-8(9-2-3-9)11(15)6-10-7-14-4-5-16-12(14)13-10/h4-5,7-9H,2-3,6H2,1H3
InChIKeyKQAMZTVOTRAYHE-UHFFFAOYSA-N
XLogP2.55
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 116680767
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one
CID 116574100
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid
CID 115332454
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94812709
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
CID 116599074
1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115332399
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
The IUPAC name of 3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one (CID 115792010) is 3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one.
What is the SMILES notation for 3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
The canonical SMILES for 3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one is CC(C(=O)Cc1cn2ccsc2n1)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
The InChIKey is KQAMZTVOTRAYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8(9-2-3-9)11(15)6-10-7-14-4-5-16-12(14)13-10/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one has a molecular weight of 234.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one is sourced from PubChem (CID 115792010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).