(4-methyl-2-pyridinyl)thiourea;molecular nitrogen

C7H9N5S — CID 170549235

IUPAC(4-methyl-2-pyridinyl)thiourea;molecular nitrogen
SMILESCc1ccnc(NC(N)=S)c1.N#N
InChIInChI=1S/C7H9N3S.N2/c1-5-2-3-9-6(4-5)10-7(8)11;1-2/h2-4H,1H3,(H3,8,9,10,11);
InChIKeyHYBLNGUMERSZKS-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.08
Rot. Bonds1

About (4-methyl-2-pyridinyl)thiourea;molecular nitrogen

(4-methyl-2-pyridinyl)thiourea;molecular nitrogen (PubChem CID 170549235) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)thiourea;molecular nitrogen.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)thiourea;molecular nitrogen
PubChem CID170549235
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name(4-methyl-2-pyridinyl)thiourea;molecular nitrogen
SMILESCc1ccnc(NC(N)=S)c1.N#N
InChIInChI=1S/C7H9N3S.N2/c1-5-2-3-9-6(4-5)10-7(8)11;1-2/h2-4H,1H3,(H3,8,9,10,11);
InChIKeyHYBLNGUMERSZKS-UHFFFAOYSA-N
XLogP1.08
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methyl-2-pyridinyl)thiourea;molecular nitrogen with MolForge

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

Launch Full Analysis

Related Compounds

1-amino-3-(4-methyl-2-pyridinyl)thiourea
CID 55279966
2-(carbamothioylamino)pyridine-4-carboxamide
CID 175468942
(4-methylsulfonyl-2-pyridinyl)thiourea
CID 134821944
N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide
CID 21131959
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108529456
1-butan-2-yl-3-(4-methyl-2-pyridinyl)thiourea
CID 127064169
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 5249645
N-(4-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530485
1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 100772366
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridinyl)thiourea;molecular nitrogen?
The IUPAC name of (4-methyl-2-pyridinyl)thiourea;molecular nitrogen (CID 170549235) is (4-methyl-2-pyridinyl)thiourea;molecular nitrogen.
What is the SMILES notation for (4-methyl-2-pyridinyl)thiourea;molecular nitrogen?
The canonical SMILES for (4-methyl-2-pyridinyl)thiourea;molecular nitrogen is Cc1ccnc(NC(N)=S)c1.N#N.
What is the InChIKey of (4-methyl-2-pyridinyl)thiourea;molecular nitrogen?
The InChIKey is HYBLNGUMERSZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S.N2/c1-5-2-3-9-6(4-5)10-7(8)11;1-2/h2-4H,1H3,(H3,8,9,10,11);.
What are the key properties of (4-methyl-2-pyridinyl)thiourea;molecular nitrogen?
(4-methyl-2-pyridinyl)thiourea;molecular nitrogen has a molecular weight of 195.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridinyl)thiourea;molecular nitrogen is sourced from PubChem (CID 170549235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).