N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide

C15H21N3O2S — CID 110003774

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
SMILESCN(CC1CCCCC1O)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C15H21N3O2S/c1-17(9-11-4-2-3-5-13(11)19)14(20)8-12-10-18-6-7-21-15(18)16-12/h6-7,10-11,13,19H,2-5,8-9H2,1H3
InChIKeyRZAQCBAMUJAPLD-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.95
Rot. Bonds4

About N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide

N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide (PubChem CID 110003774) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
PubChem CID110003774
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
SMILESCN(CC1CCCCC1O)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C15H21N3O2S/c1-17(9-11-4-2-3-5-13(11)19)14(20)8-12-10-18-6-7-21-15(18)16-12/h6-7,10-11,13,19H,2-5,8-9H2,1H3
InChIKeyRZAQCBAMUJAPLD-UHFFFAOYSA-N
XLogP1.95
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 109398119
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116580040
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 45175404
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 109400065
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
N-benzyl-N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 38252253
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 70769748
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047252
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 31016301
1-(3-ethylcyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289131

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide (CID 110003774) is N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide is CN(CC1CCCCC1O)C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide?
The InChIKey is RZAQCBAMUJAPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17(9-11-4-2-3-5-13(11)19)14(20)8-12-10-18-6-7-21-15(18)16-12/h6-7,10-11,13,19H,2-5,8-9H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide?
N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide has a molecular weight of 307.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide is sourced from PubChem (CID 110003774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).