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

C14H24N2OS — CID 86799898

IUPAC3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCNC1CCCCC1(C)C
InChIInChI=1S/C14H24N2OS/c1-11-10-18-13(17)16(11)9-8-15-12-6-4-5-7-14(12,2)3/h10,12,15H,4-9H2,1-3H3
InChIKeySJEBBOPZVFFSGE-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.78
Rot. Bonds4

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

3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 86799898) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID86799898
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCNC1CCCCC1(C)C
InChIInChI=1S/C14H24N2OS/c1-11-10-18-13(17)16(11)9-8-15-12-6-4-5-7-14(12,2)3/h10,12,15H,4-9H2,1-3H3
InChIKeySJEBBOPZVFFSGE-UHFFFAOYSA-N
XLogP2.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one (CID 86799898) is 3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCNC1CCCCC1(C)C.
What is the InChIKey of 3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is SJEBBOPZVFFSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-10-18-13(17)16(11)9-8-15-12-6-4-5-7-14(12,2)3/h10,12,15H,4-9H2,1-3H3.
What are the key properties of 3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 268.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 86799898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).