1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea

C10H15N3S — CID 103739101

IUPAC1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea
SMILESCc1cncc(NC(=S)NC(C)C)c1
InChIInChI=1S/C10H15N3S/c1-7(2)12-10(14)13-9-4-8(3)5-11-6-9/h4-7H,1-3H3,(H2,12,13,14)
InChIKeyZHCCNTRTFJDFDJ-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.08
Rot. Bonds2

About 1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea

1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea (PubChem CID 103739101) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea
PubChem CID103739101
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea
SMILESCc1cncc(NC(=S)NC(C)C)c1
InChIInChI=1S/C10H15N3S/c1-7(2)12-10(14)13-9-4-8(3)5-11-6-9/h4-7H,1-3H3,(H2,12,13,14)
InChIKeyZHCCNTRTFJDFDJ-UHFFFAOYSA-N
XLogP2.08
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.08
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-3-pyridinyl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea (CID 103739101) is 1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea is Cc1cncc(NC(=S)NC(C)C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea?
The InChIKey is ZHCCNTRTFJDFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7(2)12-10(14)13-9-4-8(3)5-11-6-9/h4-7H,1-3H3,(H2,12,13,14).
What are the key properties of 1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea?
1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea has a molecular weight of 209.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea is sourced from PubChem (CID 103739101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).