(6-methoxy-3-pyridinyl)thiourea

C7H9N3OS — CID 43148919

IUPAC(6-methoxy-3-pyridinyl)thiourea
SMILESCOc1ccc(NC(N)=S)cn1
InChIInChI=1S/C7H9N3OS/c1-11-6-3-2-5(4-9-6)10-7(8)12/h2-4H,1H3,(H3,8,10,12)
InChIKeyPFXJBCYUIINVDK-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.75
Rot. Bonds2

About (6-methoxy-3-pyridinyl)thiourea

(6-methoxy-3-pyridinyl)thiourea (PubChem CID 43148919) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)thiourea.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)thiourea
PubChem CID43148919
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name(6-methoxy-3-pyridinyl)thiourea
SMILESCOc1ccc(NC(N)=S)cn1
InChIInChI=1S/C7H9N3OS/c1-11-6-3-2-5(4-9-6)10-7(8)12/h2-4H,1H3,(H3,8,10,12)
InChIKeyPFXJBCYUIINVDK-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

3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
CID 24707094
1-(6-methoxy-3-pyridinyl)-3-propylthiourea
CID 42992989
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
(6-methoxy-3-pyridinyl)hydrazine;hydrochloride
CID 23090203
N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide
CID 123262554
(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide
CID 43156078
1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 94841351
2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide
CID 154047378
3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide
CID 80510972
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
N-(6-methoxy-3-pyridinyl)methanethioamide
CID 142077348
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)thiourea?
The IUPAC name of (6-methoxy-3-pyridinyl)thiourea (CID 43148919) is (6-methoxy-3-pyridinyl)thiourea.
What is the SMILES notation for (6-methoxy-3-pyridinyl)thiourea?
The canonical SMILES for (6-methoxy-3-pyridinyl)thiourea is COc1ccc(NC(N)=S)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)thiourea?
The InChIKey is PFXJBCYUIINVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-11-6-3-2-5(4-9-6)10-7(8)12/h2-4H,1H3,(H3,8,10,12).
What are the key properties of (6-methoxy-3-pyridinyl)thiourea?
(6-methoxy-3-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-3-pyridinyl)thiourea is sourced from PubChem (CID 43148919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).