3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide

C16H15N3S2 — CID 154122843

IUPAC3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1scc(-c2nc(-c3ccccc3)cs2)c1CC
InChIInChI=1S/C16H15N3S2/c1-2-11-12(8-20-14(11)15(17)18)16-19-13(9-21-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyVLSULSSBIZBIFD-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.39
Rot. Bonds4

About 3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide

3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (PubChem CID 154122843) has the molecular formula C16H15N3S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
PubChem CID154122843
Molecular FormulaC16H15N3S2
Molecular Weight313.45 g/mol
Exact Mass313.07
IUPAC Name3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1scc(-c2nc(-c3ccccc3)cs2)c1CC
InChIInChI=1S/C16H15N3S2/c1-2-11-12(8-20-14(11)15(17)18)16-19-13(9-21-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyVLSULSSBIZBIFD-UHFFFAOYSA-N
XLogP4.39
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The IUPAC name of 3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (CID 154122843) is 3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.
What is the SMILES notation for 3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The canonical SMILES for 3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is [H]/N=C(\N)c1scc(-c2nc(-c3ccccc3)cs2)c1CC.
What is the InChIKey of 3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The InChIKey is VLSULSSBIZBIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S2/c1-2-11-12(8-20-14(11)15(17)18)16-19-13(9-21-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,17,18).
What are the key properties of 3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide has a molecular weight of 313.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 154122843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).