4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one

C10H16N2O2S — CID 106379842

IUPAC4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCOCC2)cs1
InChIInChI=1S/C10H16N2O2S/c13-10-12-9(7-15-10)6-11-8-2-1-4-14-5-3-8/h7-8,11H,1-6H2,(H,12,13)
InChIKeyUYHCQEWCDXPLBF-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.10
Rot. Bonds3

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

4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379842) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379842
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCOCC2)cs1
InChIInChI=1S/C10H16N2O2S/c13-10-12-9(7-15-10)6-11-8-2-1-4-14-5-3-8/h7-8,11H,1-6H2,(H,12,13)
InChIKeyUYHCQEWCDXPLBF-UHFFFAOYSA-N
XLogP1.10
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[(oxan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380047
4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380092
4-[[(2-ethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380525
4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380544
4-[(4-methoxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380853
4-[[2-(oxolan-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380854
4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381729
4-[[(2-amino-4-methoxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381753

Frequently Asked Questions

What is the IUPAC name of 4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379842) is 4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCCOCC2)cs1.
What is the InChIKey of 4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UYHCQEWCDXPLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-10-12-9(7-15-10)6-11-8-2-1-4-14-5-3-8/h7-8,11H,1-6H2,(H,12,13).
What are the key properties of 4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(oxepan-4-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).