2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide

C16H18N4O2S — CID 154669613

IUPAC2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESNCC(=O)Nc1nc(-c2cccc(C34CCOCC3C4)n2)cs1
InChIInChI=1S/C16H18N4O2S/c17-7-14(21)20-15-19-12(9-23-15)11-2-1-3-13(18-11)16-4-5-22-8-10(16)6-16/h1-3,9-10H,4-8,17H2,(H,19,20,21)
InChIKeyLZGGGYGVSAXYTL-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.78
Rot. Bonds4

About 2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide

2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 154669613) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
PubChem CID154669613
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESNCC(=O)Nc1nc(-c2cccc(C34CCOCC3C4)n2)cs1
InChIInChI=1S/C16H18N4O2S/c17-7-14(21)20-15-19-12(9-23-15)11-2-1-3-13(18-11)16-4-5-22-8-10(16)6-16/h1-3,9-10H,4-8,17H2,(H,19,20,21)
InChIKeyLZGGGYGVSAXYTL-UHFFFAOYSA-N
XLogP1.78
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide (CID 154669613) is 2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide is NCC(=O)Nc1nc(-c2cccc(C34CCOCC3C4)n2)cs1.
What is the InChIKey of 2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LZGGGYGVSAXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c17-7-14(21)20-15-19-12(9-23-15)11-2-1-3-13(18-11)16-4-5-22-8-10(16)6-16/h1-3,9-10H,4-8,17H2,(H,19,20,21).
What are the key properties of 2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide?
2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154669613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).