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

C15H15N3O2S — CID 155037546

IUPACN-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide
SMILESO=CNc1nc(-c2cccc(C34CCOCC3C4)n2)cs1
InChIInChI=1S/C15H15N3O2S/c19-9-16-14-18-12(8-21-14)11-2-1-3-13(17-11)15-4-5-20-7-10(15)6-15/h1-3,8-10H,4-7H2,(H,16,18,19)
InChIKeySAXAWFFJDNIUCT-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.45
Rot. Bonds4

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

N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide (PubChem CID 155037546) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide
PubChem CID155037546
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide
SMILESO=CNc1nc(-c2cccc(C34CCOCC3C4)n2)cs1
InChIInChI=1S/C15H15N3O2S/c19-9-16-14-18-12(8-21-14)11-2-1-3-13(17-11)15-4-5-20-7-10(15)6-15/h1-3,8-10H,4-7H2,(H,16,18,19)
InChIKeySAXAWFFJDNIUCT-UHFFFAOYSA-N
XLogP2.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide (CID 155037546) is N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide is O=CNc1nc(-c2cccc(C34CCOCC3C4)n2)cs1.
What is the InChIKey of N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide?
The InChIKey is SAXAWFFJDNIUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-9-16-14-18-12(8-21-14)11-2-1-3-13(17-11)15-4-5-20-7-10(15)6-15/h1-3,8-10H,4-7H2,(H,16,18,19).
What are the key properties of N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide?
N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide has a molecular weight of 301.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 155037546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).