4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C17H13N3OS — CID 89422218

IUPAC4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3cc4ccccc4o3)cs2)n1
InChIInChI=1S/C17H13N3OS/c1-11-5-4-8-16(18-11)20-17-19-13(10-22-17)15-9-12-6-2-3-7-14(12)21-15/h2-10H,1H3,(H,18,19,20)
InChIKeyHGNDFIFFLGOZES-UHFFFAOYSA-N
MW307.38 g/mol
LogP5.00
Rot. Bonds3

About 4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 89422218) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID89422218
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3cc4ccccc4o3)cs2)n1
InChIInChI=1S/C17H13N3OS/c1-11-5-4-8-16(18-11)20-17-19-13(10-22-17)15-9-12-6-2-3-7-14(12)21-15/h2-10H,1H3,(H,18,19,20)
InChIKeyHGNDFIFFLGOZES-UHFFFAOYSA-N
XLogP5.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 89422218) is 4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3cc4ccccc4o3)cs2)n1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is HGNDFIFFLGOZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-11-5-4-8-16(18-11)20-17-19-13(10-22-17)15-9-12-6-2-3-7-14(12)21-15/h2-10H,1H3,(H,18,19,20).
What are the key properties of 4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 307.38 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89422218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).