5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide

C13H11N3S4 — CID 18536775

IUPAC5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3cccs3)cs2)c(SC)s1
InChIInChI=1S/C13H11N3S4/c1-17-13-7(5-10(20-13)11(14)15)12-16-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H3,14,15)
InChIKeyPYBQUZRFYXFVJH-UHFFFAOYSA-N
MW337.52 g/mol
LogP4.61
Rot. Bonds4

About 5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide

5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (PubChem CID 18536775) has the molecular formula C13H11N3S4 and a molecular weight of 337.52 g/mol. Its IUPAC name is 5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
PubChem CID18536775
Molecular FormulaC13H11N3S4
Molecular Weight337.52 g/mol
Exact Mass336.98
IUPAC Name5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3cccs3)cs2)c(SC)s1
InChIInChI=1S/C13H11N3S4/c1-17-13-7(5-10(20-13)11(14)15)12-16-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H3,14,15)
InChIKeyPYBQUZRFYXFVJH-UHFFFAOYSA-N
XLogP4.61
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The IUPAC name of 5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (CID 18536775) is 5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.
What is the SMILES notation for 5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The canonical SMILES for 5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2nc(-c3cccs3)cs2)c(SC)s1.
What is the InChIKey of 5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The InChIKey is PYBQUZRFYXFVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S4/c1-17-13-7(5-10(20-13)11(14)15)12-16-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H3,14,15).
What are the key properties of 5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide has a molecular weight of 337.52 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 18536775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).