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

C14H11N3S2 — CID 18536933

IUPAC4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)cs1
InChIInChI=1S/C14H11N3S2/c15-13(16)12-6-10(7-18-12)14-17-11(8-19-14)9-4-2-1-3-5-9/h1-8H,(H3,15,16)
InChIKeyAOJMSGJXUIRAIF-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.82
Rot. Bonds3

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

4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (PubChem CID 18536933) has the molecular formula C14H11N3S2 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
PubChem CID18536933
Molecular FormulaC14H11N3S2
Molecular Weight285.40 g/mol
Exact Mass285.04
IUPAC Name4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)cs1
InChIInChI=1S/C14H11N3S2/c15-13(16)12-6-10(7-18-12)14-17-11(8-19-14)9-4-2-1-3-5-9/h1-8H,(H3,15,16)
InChIKeyAOJMSGJXUIRAIF-UHFFFAOYSA-N
XLogP3.82
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.82
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 4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (CID 18536933) is 4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.
What is the SMILES notation for 4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The canonical SMILES for 4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)cs1.
What is the InChIKey of 4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The InChIKey is AOJMSGJXUIRAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S2/c15-13(16)12-6-10(7-18-12)14-17-11(8-19-14)9-4-2-1-3-5-9/h1-8H,(H3,15,16).
What are the key properties of 4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide has a molecular weight of 285.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 18536933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).