4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one

C14H22N2OS — CID 106379611

IUPAC4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCC3(CCCC3)CC2)cs1
InChIInChI=1S/C14H22N2OS/c17-13-16-12(10-18-13)9-15-11-3-7-14(8-4-11)5-1-2-6-14/h10-11,15H,1-9H2,(H,16,17)
InChIKeyOJXVSNZCHRNRLX-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.03
Rot. Bonds3

About 4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379611) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379611
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCC3(CCCC3)CC2)cs1
InChIInChI=1S/C14H22N2OS/c17-13-16-12(10-18-13)9-15-11-3-7-14(8-4-11)5-1-2-6-14/h10-11,15H,1-9H2,(H,16,17)
InChIKeyOJXVSNZCHRNRLX-UHFFFAOYSA-N
XLogP3.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379611) is 4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCC3(CCCC3)CC2)cs1.
What is the InChIKey of 4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is OJXVSNZCHRNRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c17-13-16-12(10-18-13)9-15-11-3-7-14(8-4-11)5-1-2-6-14/h10-11,15H,1-9H2,(H,16,17).
What are the key properties of 4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 266.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).