4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one

C12H17N3OS2 — CID 106382571

IUPAC4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2=NCC3(CCCC3)CS2)cs1
InChIInChI=1S/C12H17N3OS2/c16-11-15-9(6-17-11)5-13-10-14-7-12(8-18-10)3-1-2-4-12/h6H,1-5,7-8H2,(H,13,14)(H,15,16)
InChIKeyGSNDTJKMSOOYRP-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.19
Rot. Bonds2

About 4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382571) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106382571
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC Name4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2=NCC3(CCCC3)CS2)cs1
InChIInChI=1S/C12H17N3OS2/c16-11-15-9(6-17-11)5-13-10-14-7-12(8-18-10)3-1-2-4-12/h6H,1-5,7-8H2,(H,13,14)(H,15,16)
InChIKeyGSNDTJKMSOOYRP-UHFFFAOYSA-N
XLogP2.19
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106382571) is 4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2=NCC3(CCCC3)CS2)cs1.
What is the InChIKey of 4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GSNDTJKMSOOYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c16-11-15-9(6-17-11)5-13-10-14-7-12(8-18-10)3-1-2-4-12/h6H,1-5,7-8H2,(H,13,14)(H,15,16).
What are the key properties of 4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 283.42 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).