N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C12H18N2O3S — CID 104927843

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H18N2O3S/c1-8-7-18-12(17)14(8)6-11(16)13-9-4-2-3-5-10(9)15/h7,9-10,15H,2-6H2,1H3,(H,13,16)/t9-,10-/m1/s1
InChIKeyZYLYTNHCYWBQFZ-NXEZZACHSA-N
MW270.35 g/mol
LogP0.64
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 104927843) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID104927843
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H18N2O3S/c1-8-7-18-12(17)14(8)6-11(16)13-9-4-2-3-5-10(9)15/h7,9-10,15H,2-6H2,1H3,(H,13,16)/t9-,10-/m1/s1
InChIKeyZYLYTNHCYWBQFZ-NXEZZACHSA-N
XLogP0.64
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 104927843) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is ZYLYTNHCYWBQFZ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-7-18-12(17)14(8)6-11(16)13-9-4-2-3-5-10(9)15/h7,9-10,15H,2-6H2,1H3,(H,13,16)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 104927843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).