N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide

C12H16N2S — CID 130388909

IUPACN'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide
SMILESC/C=C\c1sc(C)c(/N=C/N)c1/C=C\C
InChIInChI=1S/C12H16N2S/c1-4-6-10-11(7-5-2)15-9(3)12(10)14-8-13/h4-8H,1-3H3,(H2,13,14)/b6-4-,7-5-
InChIKeySHKZVJCIYDPRRG-PEPZGXQESA-N
MW220.34 g/mol
LogP3.74
Rot. Bonds3

About N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide

N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide (PubChem CID 130388909) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide
PubChem CID130388909
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide
SMILESC/C=C\c1sc(C)c(/N=C/N)c1/C=C\C
InChIInChI=1S/C12H16N2S/c1-4-6-10-11(7-5-2)15-9(3)12(10)14-8-13/h4-8H,1-3H3,(H2,13,14)/b6-4-,7-5-
InChIKeySHKZVJCIYDPRRG-PEPZGXQESA-N
XLogP3.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide?
The IUPAC name of N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide (CID 130388909) is N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide.
What is the SMILES notation for N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide?
The canonical SMILES for N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide is C/C=C\c1sc(C)c(/N=C/N)c1/C=C\C.
What is the InChIKey of N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide?
The InChIKey is SHKZVJCIYDPRRG-PEPZGXQESA-N. The full InChI is InChI=1S/C12H16N2S/c1-4-6-10-11(7-5-2)15-9(3)12(10)14-8-13/h4-8H,1-3H3,(H2,13,14)/b6-4-,7-5-.
What are the key properties of N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide?
N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide has a molecular weight of 220.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-4,5-bis[(Z)-prop-1-enyl]thiophen-3-yl]methanimidamide is sourced from PubChem (CID 130388909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).