1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea

C12H15N5OS — CID 2813618

IUPAC1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea
SMILESCNC(=S)NNC(=O)c1c(C)nc2cc(C)ccn12
InChIInChI=1S/C12H15N5OS/c1-7-4-5-17-9(6-7)14-8(2)10(17)11(18)15-16-12(19)13-3/h4-6H,1-3H3,(H,15,18)(H2,13,16,19)
InChIKeyDCLGSARYBSNVJH-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.69
Rot. Bonds1

About 1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea

1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea (PubChem CID 2813618) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea
PubChem CID2813618
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea
SMILESCNC(=S)NNC(=O)c1c(C)nc2cc(C)ccn12
InChIInChI=1S/C12H15N5OS/c1-7-4-5-17-9(6-7)14-8(2)10(17)11(18)15-16-12(19)13-3/h4-6H,1-3H3,(H,15,18)(H2,13,16,19)
InChIKeyDCLGSARYBSNVJH-UHFFFAOYSA-N
XLogP0.69
TPSA70.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea?
The IUPAC name of 1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea (CID 2813618) is 1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea.
What is the SMILES notation for 1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea?
The canonical SMILES for 1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea is CNC(=S)NNC(=O)c1c(C)nc2cc(C)ccn12.
What is the InChIKey of 1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea?
The InChIKey is DCLGSARYBSNVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7-4-5-17-9(6-7)14-8(2)10(17)11(18)15-16-12(19)13-3/h4-6H,1-3H3,(H,15,18)(H2,13,16,19).
What are the key properties of 1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea?
1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea has a molecular weight of 277.35 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylthiourea is sourced from PubChem (CID 2813618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).