2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide

C11H17N3O2S — CID 2382207

IUPAC2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide
SMILESNC1=NC(=O)[C@H](CC(=O)NC2CCCCC2)S1
InChIInChI=1S/C11H17N3O2S/c12-11-14-10(16)8(17-11)6-9(15)13-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,13,15)(H2,12,14,16)/t8-/m0/s1
InChIKeyZRCSYEWWILVEGF-QMMMGPOBSA-N
MW255.34 g/mol
LogP0.78
Rot. Bonds3

About 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide

2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide (PubChem CID 2382207) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide
PubChem CID2382207
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide
SMILESNC1=NC(=O)[C@H](CC(=O)NC2CCCCC2)S1
InChIInChI=1S/C11H17N3O2S/c12-11-14-10(16)8(17-11)6-9(15)13-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,13,15)(H2,12,14,16)/t8-/m0/s1
InChIKeyZRCSYEWWILVEGF-QMMMGPOBSA-N
XLogP0.78
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide (CID 2382207) is 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide is NC1=NC(=O)[C@H](CC(=O)NC2CCCCC2)S1.
What is the InChIKey of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide?
The InChIKey is ZRCSYEWWILVEGF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-11-14-10(16)8(17-11)6-9(15)13-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,13,15)(H2,12,14,16)/t8-/m0/s1.
What are the key properties of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide?
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide has a molecular weight of 255.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 2382207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).