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

C12H20N2OS — CID 106379658

IUPAC4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC1CCC(NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C12H20N2OS/c1-2-9-3-5-10(6-4-9)13-7-11-8-16-12(15)14-11/h8-10,13H,2-7H2,1H3,(H,14,15)
InChIKeyXTWPNKVHSOUOHD-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.49
Rot. Bonds4

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

4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379658) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379658
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC1CCC(NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C12H20N2OS/c1-2-9-3-5-10(6-4-9)13-7-11-8-16-12(15)14-11/h8-10,13H,2-7H2,1H3,(H,14,15)
InChIKeyXTWPNKVHSOUOHD-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379658) is 4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is CCC1CCC(NCc2csc(=O)[nH]2)CC1.
What is the InChIKey of 4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XTWPNKVHSOUOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-9-3-5-10(6-4-9)13-7-11-8-16-12(15)14-11/h8-10,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 240.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).