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

C11H18N2O2S — CID 106380845

IUPAC4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCCCC2O)cs1
InChIInChI=1S/C11H18N2O2S/c14-10-5-3-1-2-4-9(10)12-6-8-7-16-11(15)13-8/h7,9-10,12,14H,1-6H2,(H,13,15)
InChIKeyXGMAXPLVDPBTIW-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.22
Rot. Bonds3

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

4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380845) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380845
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCCCC2O)cs1
InChIInChI=1S/C11H18N2O2S/c14-10-5-3-1-2-4-9(10)12-6-8-7-16-11(15)13-8/h7,9-10,12,14H,1-6H2,(H,13,15)
InChIKeyXGMAXPLVDPBTIW-UHFFFAOYSA-N
XLogP1.22
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(2-hydroxycycloheptyl)amino]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-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380845) is 4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCCCCC2O)cs1.
What is the InChIKey of 4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XGMAXPLVDPBTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c14-10-5-3-1-2-4-9(10)12-6-8-7-16-11(15)13-8/h7,9-10,12,14H,1-6H2,(H,13,15).
What are the key properties of 4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 242.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).