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

C12H20N2OS — CID 106379696

IUPAC4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCCCC2)cs1
InChIInChI=1S/C12H20N2OS/c15-12-14-11(9-16-12)8-13-7-10-5-3-1-2-4-6-10/h9-10,13H,1-8H2,(H,14,15)
InChIKeyFUOLPYJEYUTZTR-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.50
Rot. Bonds4

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

4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379696) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379696
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCCCC2)cs1
InChIInChI=1S/C12H20N2OS/c15-12-14-11(9-16-12)8-13-7-10-5-3-1-2-4-6-10/h9-10,13H,1-8H2,(H,14,15)
InChIKeyFUOLPYJEYUTZTR-UHFFFAOYSA-N
XLogP2.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379696) is 4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CCCCCC2)cs1.
What is the InChIKey of 4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FUOLPYJEYUTZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c15-12-14-11(9-16-12)8-13-7-10-5-3-1-2-4-6-10/h9-10,13H,1-8H2,(H,14,15).
What are the key properties of 4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 240.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).