1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide

C11H11N3OS — CID 106505007

IUPAC1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide
SMILESCOc1ccc(-n2cccc2C(N)=S)nc1
InChIInChI=1S/C11H11N3OS/c1-15-8-4-5-10(13-7-8)14-6-2-3-9(14)11(12)16/h2-7H,1H3,(H2,12,16)
InChIKeySRECAWLQHHPGFJ-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.52
Rot. Bonds3

About 1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide

1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide (PubChem CID 106505007) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide.

Molecular Properties

Compound Name1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide
PubChem CID106505007
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide
SMILESCOc1ccc(-n2cccc2C(N)=S)nc1
InChIInChI=1S/C11H11N3OS/c1-15-8-4-5-10(13-7-8)14-6-2-3-9(14)11(12)16/h2-7H,1H3,(H2,12,16)
InChIKeySRECAWLQHHPGFJ-UHFFFAOYSA-N
XLogP1.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione
CID 10584450
1-(5-bromopyrimidin-2-yl)pyrrole-2-carbothioamide
CID 114654342
1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-2-carbothioamide
CID 114654301
3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one
CID 137450700
1-(1-methoxypropan-2-yl)pyrrole-2-carbothioamide
CID 114653794
1-(3-chloro-2-pyridinyl)pyrrole-2-carbothioamide
CID 114654330
1-(5-methoxy-2-pyridinyl)pyrazol-4-amine
CID 106504699
N',5-dimethoxypyridine-2-carboximidamide
CID 123379844
3-ethyl-1-(5-methoxy-2-pyridinyl)azetidin-3-amine
CID 106505258
3-[2-(4-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 20985322
5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one
CID 11638623
1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carbothioamide
CID 114654480

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide?
The IUPAC name of 1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide (CID 106505007) is 1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide.
What is the SMILES notation for 1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide?
The canonical SMILES for 1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide is COc1ccc(-n2cccc2C(N)=S)nc1.
What is the InChIKey of 1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide?
The InChIKey is SRECAWLQHHPGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-15-8-4-5-10(13-7-8)14-6-2-3-9(14)11(12)16/h2-7H,1H3,(H2,12,16).
What are the key properties of 1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide?
1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide has a molecular weight of 233.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide is sourced from PubChem (CID 106505007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).