1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone

C13H14N4O2S — CID 175854526

IUPAC1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2cnccn2)s1)N1CCCOCC1
InChIInChI=1S/C13H14N4O2S/c18-13(17-4-1-6-19-7-5-17)11-9-16-12(20-11)10-8-14-2-3-15-10/h2-3,8-9H,1,4-7H2
InChIKeyBTTQVCAWFRPMRC-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.46
Rot. Bonds2

About 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone

1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 175854526) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID175854526
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2cnccn2)s1)N1CCCOCC1
InChIInChI=1S/C13H14N4O2S/c18-13(17-4-1-6-19-7-5-17)11-9-16-12(20-11)10-8-14-2-3-15-10/h2-3,8-9H,1,4-7H2
InChIKeyBTTQVCAWFRPMRC-UHFFFAOYSA-N
XLogP1.46
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone (CID 175854526) is 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone is O=C(c1cnc(-c2cnccn2)s1)N1CCCOCC1.
What is the InChIKey of 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is BTTQVCAWFRPMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-13(17-4-1-6-19-7-5-17)11-9-16-12(20-11)10-8-14-2-3-15-10/h2-3,8-9H,1,4-7H2.
What are the key properties of 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone?
1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 290.35 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxazepan-4-yl-(2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 175854526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).