1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea

C15H17N3S — CID 3008844

IUPAC1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea
SMILESCc1cccc(NC(=S)N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C15H17N3S/c1-11-7-6-10-14(16-11)18-15(19)17-12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H2,16,17,18,19)/t12-/m0/s1
InChIKeyVWBHZCJZMLVKFD-LBPRGKRZSA-N
MW271.39 g/mol
LogP3.44
Rot. Bonds3

About 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea

1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea (PubChem CID 3008844) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea
PubChem CID3008844
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea
SMILESCc1cccc(NC(=S)N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C15H17N3S/c1-11-7-6-10-14(16-11)18-15(19)17-12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H2,16,17,18,19)/t12-/m0/s1
InChIKeyVWBHZCJZMLVKFD-LBPRGKRZSA-N
XLogP3.44
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea (CID 3008844) is 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea is Cc1cccc(NC(=S)N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea?
The InChIKey is VWBHZCJZMLVKFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11-7-6-10-14(16-11)18-15(19)17-12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H2,16,17,18,19)/t12-/m0/s1.
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea?
1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea has a molecular weight of 271.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-[(1S)-1-phenylethyl]thiourea is sourced from PubChem (CID 3008844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).