1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea

C10H12N4S — CID 44522640

IUPAC1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea
SMILESCNC(=S)NCc1cnc2ccccn12
InChIInChI=1S/C10H12N4S/c1-11-10(15)13-7-8-6-12-9-4-2-3-5-14(8)9/h2-6H,7H2,1H3,(H2,11,13,15)
InChIKeyVLOLIFDXVNITOH-UHFFFAOYSA-N
MW220.30 g/mol
LogP0.93
Rot. Bonds2

About 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea

1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea (PubChem CID 44522640) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea
PubChem CID44522640
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea
SMILESCNC(=S)NCc1cnc2ccccn12
InChIInChI=1S/C10H12N4S/c1-11-10(15)13-7-8-6-12-9-4-2-3-5-14(8)9/h2-6H,7H2,1H3,(H2,11,13,15)
InChIKeyVLOLIFDXVNITOH-UHFFFAOYSA-N
XLogP0.93
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea (CID 44522640) is 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea is CNC(=S)NCc1cnc2ccccn12.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea?
The InChIKey is VLOLIFDXVNITOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-11-10(15)13-7-8-6-12-9-4-2-3-5-14(8)9/h2-6H,7H2,1H3,(H2,11,13,15).
What are the key properties of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea?
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea has a molecular weight of 220.30 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylthiourea is sourced from PubChem (CID 44522640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).