4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine

C14H12N2OS — CID 2531071

IUPAC4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C14H12N2OS/c1-2-7-15-14-16-11(9-18-14)13-8-10-5-3-4-6-12(10)17-13/h2-6,8-9H,1,7H2,(H,15,16)
InChIKeyGUIVINMKNHTJJH-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.15
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine

4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 2531071) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID2531071
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C14H12N2OS/c1-2-7-15-14-16-11(9-18-14)13-8-10-5-3-4-6-12(10)17-13/h2-6,8-9H,1,7H2,(H,15,16)
InChIKeyGUIVINMKNHTJJH-UHFFFAOYSA-N
XLogP4.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine (CID 2531071) is 4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine is C=CCNc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is GUIVINMKNHTJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-2-7-15-14-16-11(9-18-14)13-8-10-5-3-4-6-12(10)17-13/h2-6,8-9H,1,7H2,(H,15,16).
What are the key properties of 4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2531071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).