1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C13H17N3OS — CID 116557487

IUPAC1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESNC1CCC(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C13H17N3OS/c14-10-3-1-9(2-4-10)12(17)7-11-8-16-5-6-18-13(16)15-11/h5-6,8-10H,1-4,7,14H2
InChIKeyWHUTTZFFRIXZLK-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.02
Rot. Bonds3

About 1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 116557487) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID116557487
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESNC1CCC(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C13H17N3OS/c14-10-3-1-9(2-4-10)12(17)7-11-8-16-5-6-18-13(16)15-11/h5-6,8-10H,1-4,7,14H2
InChIKeyWHUTTZFFRIXZLK-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-(3-ethylcyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289131
1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116580040
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone
CID 116568454
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone
CID 115791904
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
CID 112562533
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one
CID 103986214
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-morpholin-2-ylethanone
CID 116561830
(3R)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-3-carboxylic acid
CID 81118544
N-benzyl-N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 38252253

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 116557487) is 1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is NC1CCC(C(=O)Cc2cn3ccsc3n2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is WHUTTZFFRIXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c14-10-3-1-9(2-4-10)12(17)7-11-8-16-5-6-18-13(16)15-11/h5-6,8-10H,1-4,7,14H2.
What are the key properties of 1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(4-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-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 116557487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).