4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one

C12H18N2O2S2 — CID 106380991

IUPAC4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCOC3(CCSC3)C2)cs1
InChIInChI=1S/C12H18N2O2S2/c15-11-14-10(7-18-11)6-13-9-1-3-16-12(5-9)2-4-17-8-12/h7,9,13H,1-6,8H2,(H,14,15)
InChIKeyBMIKGMWYKGXPDZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.58
Rot. Bonds3

About 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380991) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380991
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCOC3(CCSC3)C2)cs1
InChIInChI=1S/C12H18N2O2S2/c15-11-14-10(7-18-11)6-13-9-1-3-16-12(5-9)2-4-17-8-12/h7,9,13H,1-6,8H2,(H,14,15)
InChIKeyBMIKGMWYKGXPDZ-UHFFFAOYSA-N
XLogP1.58
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379837
4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380422
4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380855
4-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380977
4-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381072
4-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181398
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181414
4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181436

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380991) is 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCOC3(CCSC3)C2)cs1.
What is the InChIKey of 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BMIKGMWYKGXPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c15-11-14-10(7-18-11)6-13-9-1-3-16-12(5-9)2-4-17-8-12/h7,9,13H,1-6,8H2,(H,14,15).
What are the key properties of 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 286.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).