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

C12H20N2OS — CID 106379760

IUPAC4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCC(NCc2csc(=O)[nH]2)CC1C
InChIInChI=1S/C12H20N2OS/c1-8-3-4-10(5-9(8)2)13-6-11-7-16-12(15)14-11/h7-10,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyQNCKEZPVBXXGHT-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.35
Rot. Bonds3

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

4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379760) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379760
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCC(NCc2csc(=O)[nH]2)CC1C
InChIInChI=1S/C12H20N2OS/c1-8-3-4-10(5-9(8)2)13-6-11-7-16-12(15)14-11/h7-10,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyQNCKEZPVBXXGHT-UHFFFAOYSA-N
XLogP2.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379760) is 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is CC1CCC(NCc2csc(=O)[nH]2)CC1C.
What is the InChIKey of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is QNCKEZPVBXXGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-3-4-10(5-9(8)2)13-6-11-7-16-12(15)14-11/h7-10,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 240.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).