1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea

C16H22N4S — CID 71899681

IUPAC1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea
SMILESS=C(NCCc1cn2ccccc2n1)NC1CCCCC1
InChIInChI=1S/C16H22N4S/c21-16(19-13-6-2-1-3-7-13)17-10-9-14-12-20-11-5-4-8-15(20)18-14/h4-5,8,11-13H,1-3,6-7,9-10H2,(H2,17,19,21)
InChIKeyODRCEBPZFWUXCB-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.67
Rot. Bonds4

About 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea

1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea (PubChem CID 71899681) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea
PubChem CID71899681
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea
SMILESS=C(NCCc1cn2ccccc2n1)NC1CCCCC1
InChIInChI=1S/C16H22N4S/c21-16(19-13-6-2-1-3-7-13)17-10-9-14-12-20-11-5-4-8-15(20)18-14/h4-5,8,11-13H,1-3,6-7,9-10H2,(H2,17,19,21)
InChIKeyODRCEBPZFWUXCB-UHFFFAOYSA-N
XLogP2.67
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 110958559
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 31008557
1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 110991788
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55597564
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 110936525
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111575238
4-(hydroxymethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperidine-1-carboxamide
CID 110895574
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
(9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125160032
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87003227

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea (CID 71899681) is 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea is S=C(NCCc1cn2ccccc2n1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea?
The InChIKey is ODRCEBPZFWUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c21-16(19-13-6-2-1-3-7-13)17-10-9-14-12-20-11-5-4-8-15(20)18-14/h4-5,8,11-13H,1-3,6-7,9-10H2,(H2,17,19,21).
What are the key properties of 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea?
1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea has a molecular weight of 302.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea is sourced from PubChem (CID 71899681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).