N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide

C19H22N6S — CID 53257115

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide
SMILESCc1cc(C)nc(NC(=S)N2CCN(c3cccc4nccn34)CC2)c1
InChIInChI=1S/C19H22N6S/c1-14-12-15(2)21-16(13-14)22-19(26)24-10-8-23(9-11-24)18-5-3-4-17-20-6-7-25(17)18/h3-7,12-13H,8-11H2,1-2H3,(H,21,22,26)
InChIKeyIWXWUUPJGXUIHH-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.87
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide

N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide (PubChem CID 53257115) has the molecular formula C19H22N6S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide
PubChem CID53257115
Molecular FormulaC19H22N6S
Molecular Weight366.49 g/mol
Exact Mass366.16
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide
SMILESCc1cc(C)nc(NC(=S)N2CCN(c3cccc4nccn34)CC2)c1
InChIInChI=1S/C19H22N6S/c1-14-12-15(2)21-16(13-14)22-19(26)24-10-8-23(9-11-24)18-5-3-4-17-20-6-7-25(17)18/h3-7,12-13H,8-11H2,1-2H3,(H,21,22,26)
InChIKeyIWXWUUPJGXUIHH-UHFFFAOYSA-N
XLogP2.87
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide (CID 53257115) is N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide is Cc1cc(C)nc(NC(=S)N2CCN(c3cccc4nccn34)CC2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide?
The InChIKey is IWXWUUPJGXUIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6S/c1-14-12-15(2)21-16(13-14)22-19(26)24-10-8-23(9-11-24)18-5-3-4-17-20-6-7-25(17)18/h3-7,12-13H,8-11H2,1-2H3,(H,21,22,26).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide?
N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide has a molecular weight of 366.49 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-4-imidazo[1,2-a]pyridin-5-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 53257115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).