2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide

C13H21N3O2S — CID 106381285

IUPAC2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
SMILESCNC1(CC(=O)NCc2csc(=O)[nH]2)CCCCC1
InChIInChI=1S/C13H21N3O2S/c1-14-13(5-3-2-4-6-13)7-11(17)15-8-10-9-19-12(18)16-10/h9,14H,2-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyAZWCGDYSEBCVDQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.37
Rot. Bonds5

About 2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide

2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 106381285) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID106381285
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
SMILESCNC1(CC(=O)NCc2csc(=O)[nH]2)CCCCC1
InChIInChI=1S/C13H21N3O2S/c1-14-13(5-3-2-4-6-13)7-11(17)15-8-10-9-19-12(18)16-10/h9,14H,2-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyAZWCGDYSEBCVDQ-UHFFFAOYSA-N
XLogP1.37
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide (CID 106381285) is 2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide is CNC1(CC(=O)NCc2csc(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is AZWCGDYSEBCVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14-13(5-3-2-4-6-13)7-11(17)15-8-10-9-19-12(18)16-10/h9,14H,2-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 283.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 106381285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).