4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one

C14H22N2O2S — CID 106380855

IUPAC4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCOC3(CCCCC3)C2)cs1
InChIInChI=1S/C14H22N2O2S/c17-13-16-12(10-19-13)9-15-11-4-7-18-14(8-11)5-2-1-3-6-14/h10-11,15H,1-9H2,(H,16,17)
InChIKeyHFHVLKIDBXDUNP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.41
Rot. Bonds3

About 4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380855) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380855
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCOC3(CCCCC3)C2)cs1
InChIInChI=1S/C14H22N2O2S/c17-13-16-12(10-19-13)9-15-11-4-7-18-14(8-11)5-2-1-3-6-14/h10-11,15H,1-9H2,(H,16,17)
InChIKeyHFHVLKIDBXDUNP-UHFFFAOYSA-N
XLogP2.41
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379702
4-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379837
4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380329
4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380422
4-[[(2-ethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380525
4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380527
4-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380977
4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380991
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-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380855) is 4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCOC3(CCCCC3)C2)cs1.
What is the InChIKey of 4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is HFHVLKIDBXDUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c17-13-16-12(10-19-13)9-15-11-4-7-18-14(8-11)5-2-1-3-6-14/h10-11,15H,1-9H2,(H,16,17).
What are the key properties of 4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 282.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).