1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea

C15H17N3S — CID 971434

IUPAC1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea
SMILESCc1ccc(NC(=S)NCCc2ccccc2)nc1
InChIInChI=1S/C15H17N3S/c1-12-7-8-14(17-11-12)18-15(19)16-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,16,17,18,19)
InChIKeyFTLVKPIQAUANGB-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.92
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea

1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea (PubChem CID 971434) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea
PubChem CID971434
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea
SMILESCc1ccc(NC(=S)NCCc2ccccc2)nc1
InChIInChI=1S/C15H17N3S/c1-12-7-8-14(17-11-12)18-15(19)16-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,16,17,18,19)
InChIKeyFTLVKPIQAUANGB-UHFFFAOYSA-N
XLogP2.92
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea (CID 971434) is 1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea is Cc1ccc(NC(=S)NCCc2ccccc2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea?
The InChIKey is FTLVKPIQAUANGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-12-7-8-14(17-11-12)18-15(19)16-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea?
1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea has a molecular weight of 271.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 971434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).