4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one

C14H15ClN2OS — CID 106380327

IUPAC4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CC(c3cccc(Cl)c3)C2)cs1
InChIInChI=1S/C14H15ClN2OS/c15-11-3-1-2-9(4-11)10-5-12(6-10)16-7-13-8-19-14(18)17-13/h1-4,8,10,12,16H,5-7H2,(H,17,18)
InChIKeyNIYNJAACOUAJFM-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.13
Rot. Bonds4

About 4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380327) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380327
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CC(c3cccc(Cl)c3)C2)cs1
InChIInChI=1S/C14H15ClN2OS/c15-11-3-1-2-9(4-11)10-5-12(6-10)16-7-13-8-19-14(18)17-13/h1-4,8,10,12,16H,5-7H2,(H,17,18)
InChIKeyNIYNJAACOUAJFM-UHFFFAOYSA-N
XLogP3.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380327) is 4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CC(c3cccc(Cl)c3)C2)cs1.
What is the InChIKey of 4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NIYNJAACOUAJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c15-11-3-1-2-9(4-11)10-5-12(6-10)16-7-13-8-19-14(18)17-13/h1-4,8,10,12,16H,5-7H2,(H,17,18).
What are the key properties of 4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 294.81 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).