1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C13H17N3OS — CID 116580040

IUPAC1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESNC1CCCCC1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H17N3OS/c14-11-4-2-1-3-10(11)12(17)7-9-8-16-5-6-18-13(16)15-9/h5-6,8,10-11H,1-4,7,14H2
InChIKeyDHEAVULZPKIVDV-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.02
Rot. Bonds3

About 1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 116580040) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID116580040
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESNC1CCCCC1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H17N3OS/c14-11-4-2-1-3-10(11)12(17)7-9-8-16-5-6-18-13(16)15-9/h5-6,8,10-11H,1-4,7,14H2
InChIKeyDHEAVULZPKIVDV-UHFFFAOYSA-N
XLogP2.02
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone
CID 116568454
1-(3-ethylcyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289131
N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 110003774
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824444
(3R)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-3-carboxylic acid
CID 81118544
(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61136837
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone
CID 115791904
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607609
1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332915
[2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
CID 115331705

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 116580040) is 1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is NC1CCCCC1C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is DHEAVULZPKIVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c14-11-4-2-1-3-10(11)12(17)7-9-8-16-5-6-18-13(16)15-9/h5-6,8,10-11H,1-4,7,14H2.
What are the key properties of 1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 263.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 116580040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).