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

C15H25N3OS — CID 106379608

IUPAC4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCCC2C2CCCCN2)cs1
InChIInChI=1S/C15H25N3OS/c19-15-18-11(10-20-15)9-17-14-6-2-1-5-12(14)13-7-3-4-8-16-13/h10,12-14,16-17H,1-9H2,(H,18,19)
InChIKeyUMXBICTXPJJGEU-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.23
Rot. Bonds4

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

4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379608) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379608
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCCC2C2CCCCN2)cs1
InChIInChI=1S/C15H25N3OS/c19-15-18-11(10-20-15)9-17-14-6-2-1-5-12(14)13-7-3-4-8-16-13/h10,12-14,16-17H,1-9H2,(H,18,19)
InChIKeyUMXBICTXPJJGEU-UHFFFAOYSA-N
XLogP2.23
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379608) is 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCCCC2C2CCCCN2)cs1.
What is the InChIKey of 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UMXBICTXPJJGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c19-15-18-11(10-20-15)9-17-14-6-2-1-5-12(14)13-7-3-4-8-16-13/h10,12-14,16-17H,1-9H2,(H,18,19).
What are the key properties of 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 295.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).