1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea

C17H18N4S2 — CID 23362944

IUPAC1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea
SMILESCc1cn2c(SCCN(C(N)=S)c3ccccc3)cccc2n1
InChIInChI=1S/C17H18N4S2/c1-13-12-21-15(19-13)8-5-9-16(21)23-11-10-20(17(18)22)14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H2,18,22)
InChIKeyUAIJXLOYVDSFOZ-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.49
Rot. Bonds5

About 1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea

1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea (PubChem CID 23362944) has the molecular formula C17H18N4S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea.

Molecular Properties

Compound Name1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea
PubChem CID23362944
Molecular FormulaC17H18N4S2
Molecular Weight342.49 g/mol
Exact Mass342.10
IUPAC Name1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea
SMILESCc1cn2c(SCCN(C(N)=S)c3ccccc3)cccc2n1
InChIInChI=1S/C17H18N4S2/c1-13-12-21-15(19-13)8-5-9-16(21)23-11-10-20(17(18)22)14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H2,18,22)
InChIKeyUAIJXLOYVDSFOZ-UHFFFAOYSA-N
XLogP3.49
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea?
The IUPAC name of 1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea (CID 23362944) is 1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea.
What is the SMILES notation for 1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea?
The canonical SMILES for 1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea is Cc1cn2c(SCCN(C(N)=S)c3ccccc3)cccc2n1.
What is the InChIKey of 1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea?
The InChIKey is UAIJXLOYVDSFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S2/c1-13-12-21-15(19-13)8-5-9-16(21)23-11-10-20(17(18)22)14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H2,18,22).
What are the key properties of 1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea?
1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea has a molecular weight of 342.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]-1-phenylthiourea is sourced from PubChem (CID 23362944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).