(6-methoxy-2-pyridinyl)thiourea

C7H9N3OS — CID 73012342

IUPAC(6-methoxy-2-pyridinyl)thiourea
SMILESCOc1cccc(NC(N)=S)n1
InChIInChI=1S/C7H9N3OS/c1-11-6-4-2-3-5(9-6)10-7(8)12/h2-4H,1H3,(H3,8,9,10,12)
InChIKeyWVMROAFZNDGOTQ-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.75
Rot. Bonds2

About (6-methoxy-2-pyridinyl)thiourea

(6-methoxy-2-pyridinyl)thiourea (PubChem CID 73012342) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is (6-methoxy-2-pyridinyl)thiourea.

Molecular Properties

Compound Name(6-methoxy-2-pyridinyl)thiourea
PubChem CID73012342
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name(6-methoxy-2-pyridinyl)thiourea
SMILESCOc1cccc(NC(N)=S)n1
InChIInChI=1S/C7H9N3OS/c1-11-6-4-2-3-5(9-6)10-7(8)12/h2-4H,1H3,(H3,8,9,10,12)
InChIKeyWVMROAFZNDGOTQ-UHFFFAOYSA-N
XLogP0.75
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-ethoxypyridin-2-yl)acetamide
CID 824661
2H-Imidazo(4,5-b)pyridine-2-thione, 1,3-dihydro-5-methoxy-
CID 11126879
2-Amino-6-methoxypyridine
CID 580053
2,3-Diamino-6-methoxypyridine dihydrochloride
CID 3023919
6-Methoxy-2-methylamino-3-aminopyridine dihydrochloride
CID 5743759
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
CID 2730951
1-(6-Methoxypyridin-2-yl)piperazine
CID 12200470
1-(6-Ethoxypyridin-2-yl)piperazine
CID 13795742
6-Ethoxy-2-pyridinamine
CID 586710
6-methoxy-N-methylpyridin-2-amine
CID 7019168
6-methoxy-2-N-methylpyridine-2,3-diamine
CID 5743760
(Z)-4-chloro-N-(6-methoxy-2-pyridyl)dithiazol-5-imine
CID 168272335

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-pyridinyl)thiourea?
The IUPAC name of (6-methoxy-2-pyridinyl)thiourea (CID 73012342) is (6-methoxy-2-pyridinyl)thiourea.
What is the SMILES notation for (6-methoxy-2-pyridinyl)thiourea?
The canonical SMILES for (6-methoxy-2-pyridinyl)thiourea is COc1cccc(NC(N)=S)n1.
What is the InChIKey of (6-methoxy-2-pyridinyl)thiourea?
The InChIKey is WVMROAFZNDGOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-11-6-4-2-3-5(9-6)10-7(8)12/h2-4H,1H3,(H3,8,9,10,12).
What are the key properties of (6-methoxy-2-pyridinyl)thiourea?
(6-methoxy-2-pyridinyl)thiourea has a molecular weight of 183.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-pyridinyl)thiourea is sourced from PubChem (CID 73012342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).