2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide

C15H21N5S — CID 102625206

IUPAC2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide
SMILESCC(C)(C(N)=S)N1CCN(c2cccc3nccn23)CC1
InChIInChI=1S/C15H21N5S/c1-15(2,14(16)21)19-10-8-18(9-11-19)13-5-3-4-12-17-6-7-20(12)13/h3-7H,8-11H2,1-2H3,(H2,16,21)
InChIKeyMJZWJPQIUGROND-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.52
Rot. Bonds3

About 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide

2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide (PubChem CID 102625206) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide
PubChem CID102625206
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide
SMILESCC(C)(C(N)=S)N1CCN(c2cccc3nccn23)CC1
InChIInChI=1S/C15H21N5S/c1-15(2,14(16)21)19-10-8-18(9-11-19)13-5-3-4-12-17-6-7-20(12)13/h3-7H,8-11H2,1-2H3,(H2,16,21)
InChIKeyMJZWJPQIUGROND-UHFFFAOYSA-N
XLogP1.52
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 141140259
1-imidazo[1,2-a]pyridin-5-ylpiperidine-4-carboximidamide
CID 102625295
1-imidazo[1,2-a]pyridin-5-ylpiperidin-3-one
CID 102625213
N-[(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 102626956
5-[4-(azetidin-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 102626147
2-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-N-methylethanamine
CID 102626099
1-imidazo[1,2-a]pyridin-5-yl-3-propylazetidin-3-amine
CID 102627175
2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135433022
3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine
CID 155410903
tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate
CID 139410980
N-[1-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)ethyl]propan-1-amine
CID 102625114
3-(imidazo[1,2-a]pyridin-5-ylamino)-2,2-dimethylpropanamide
CID 106277717

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide?
The IUPAC name of 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide (CID 102625206) is 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide.
What is the SMILES notation for 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide?
The canonical SMILES for 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide is CC(C)(C(N)=S)N1CCN(c2cccc3nccn23)CC1.
What is the InChIKey of 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide?
The InChIKey is MJZWJPQIUGROND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-15(2,14(16)21)19-10-8-18(9-11-19)13-5-3-4-12-17-6-7-20(12)13/h3-7H,8-11H2,1-2H3,(H2,16,21).
What are the key properties of 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide?
2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide has a molecular weight of 303.43 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide is sourced from PubChem (CID 102625206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).