N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C13H19N3OS2 — CID 106299338

IUPACN-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC(C)(NC1=NC2(CCOCC2)CS1)c1nccs1
InChIInChI=1S/C13H19N3OS2/c1-12(2,10-14-5-8-18-10)15-11-16-13(9-19-11)3-6-17-7-4-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,15,16)
InChIKeyVWWYEZNHRPRGLE-UHFFFAOYSA-N
MW297.45 g/mol
LogP2.62
Rot. Bonds2

About N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106299338) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106299338
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC(C)(NC1=NC2(CCOCC2)CS1)c1nccs1
InChIInChI=1S/C13H19N3OS2/c1-12(2,10-14-5-8-18-10)15-11-16-13(9-19-11)3-6-17-7-4-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,15,16)
InChIKeyVWWYEZNHRPRGLE-UHFFFAOYSA-N
XLogP2.62
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106299338) is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is CC(C)(NC1=NC2(CCOCC2)CS1)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is VWWYEZNHRPRGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-12(2,10-14-5-8-18-10)15-11-16-13(9-19-11)3-6-17-7-4-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 297.45 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106299338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).