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

C15H13N3OS2 — CID 18536936

IUPAC5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)c(OC)s1
InChIInChI=1S/C15H13N3OS2/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
InChIKeyFKVQTJUISLOOJP-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.83
Rot. Bonds4

About 5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide

5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (PubChem CID 18536936) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
PubChem CID18536936
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)c(OC)s1
InChIInChI=1S/C15H13N3OS2/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
InChIKeyFKVQTJUISLOOJP-UHFFFAOYSA-N
XLogP3.83
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The IUPAC name of 5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (CID 18536936) is 5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.
What is the SMILES notation for 5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The canonical SMILES for 5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)c(OC)s1.
What is the InChIKey of 5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The InChIKey is FKVQTJUISLOOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17).
What are the key properties of 5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide has a molecular weight of 315.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 18536936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).