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

C16H26N2OS — CID 106379657

IUPAC4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCCC2C2CCCCC2)cs1
InChIInChI=1S/C16H26N2OS/c19-16-18-13(11-20-16)10-17-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h11-12,14-15,17H,1-10H2,(H,18,19)
InChIKeyNPTDFDJUJMHGLL-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.67
Rot. Bonds4

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

4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379657) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379657
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCCC2C2CCCCC2)cs1
InChIInChI=1S/C16H26N2OS/c19-16-18-13(11-20-16)10-17-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h11-12,14-15,17H,1-10H2,(H,18,19)
InChIKeyNPTDFDJUJMHGLL-UHFFFAOYSA-N
XLogP3.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379657) is 4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCCCC2C2CCCCC2)cs1.
What is the InChIKey of 4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NPTDFDJUJMHGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c19-16-18-13(11-20-16)10-17-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h11-12,14-15,17H,1-10H2,(H,18,19).
What are the key properties of 4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 294.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).