[(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate

C14H15N3OS2 — CID 143452729

IUPAC[(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate
SMILESC/C=C/S/C(N)=N\c1ncccc1OCc1cccs1
InChIInChI=1S/C14H15N3OS2/c1-2-8-20-14(15)17-13-12(6-3-7-16-13)18-10-11-5-4-9-19-11/h2-9H,10H2,1H3,(H2,15,16,17)/b8-2+
InChIKeyRQUFGTGHGLNDOX-KRXBUXKQSA-N
MW305.43 g/mol
LogP3.94
Rot. Bonds5

About [(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate

[(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate (PubChem CID 143452729) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is [(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate.

Molecular Properties

Compound Name[(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate
PubChem CID143452729
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name[(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate
SMILESC/C=C/S/C(N)=N\c1ncccc1OCc1cccs1
InChIInChI=1S/C14H15N3OS2/c1-2-8-20-14(15)17-13-12(6-3-7-16-13)18-10-11-5-4-9-19-11/h2-9H,10H2,1H3,(H2,15,16,17)/b8-2+
InChIKeyRQUFGTGHGLNDOX-KRXBUXKQSA-N
XLogP3.94
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-(thiophen-2-ylmethoxy)pyridine
CID 65101746
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide
CID 139665094
3-(thiophen-2-ylmethoxymethyl)pyridine-2-carbothioamide
CID 62894465
2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 76944983
2-fluoro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 43609287
2-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 24710159
[(E)-prop-1-enyl] N'-[5-[4-(dimethylamino)butyl]-3-phenoxy-2-pyridinyl]carbamimidothioate
CID 143556187
(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 43185543
(1S)-1-[4-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78932180
4-(thiophen-2-ylmethoxy)-1H-benzimidazole
CID 54293133
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960

Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate?
The IUPAC name of [(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate (CID 143452729) is [(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate.
What is the SMILES notation for [(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate?
The canonical SMILES for [(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate is C/C=C/S/C(N)=N\c1ncccc1OCc1cccs1.
What is the InChIKey of [(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate?
The InChIKey is RQUFGTGHGLNDOX-KRXBUXKQSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-2-8-20-14(15)17-13-12(6-3-7-16-13)18-10-11-5-4-9-19-11/h2-9H,10H2,1H3,(H2,15,16,17)/b8-2+.
What are the key properties of [(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate?
[(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate has a molecular weight of 305.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl] N'-[3-(thiophen-2-ylmethoxy)-2-pyridinyl]carbamimidothioate is sourced from PubChem (CID 143452729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).