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

C13H20N2O3S — CID 102635529

IUPACN-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)N(C)C1CCCCC1O
InChIInChI=1S/C13H20N2O3S/c1-9-8-19-13(18)15(9)7-12(17)14(2)10-5-3-4-6-11(10)16/h8,10-11,16H,3-7H2,1-2H3
InChIKeyQLCVNSUYEDSCQS-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.98
Rot. Bonds3

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

N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 102635529) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID102635529
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)N(C)C1CCCCC1O
InChIInChI=1S/C13H20N2O3S/c1-9-8-19-13(18)15(9)7-12(17)14(2)10-5-3-4-6-11(10)16/h8,10-11,16H,3-7H2,1-2H3
InChIKeyQLCVNSUYEDSCQS-UHFFFAOYSA-N
XLogP0.98
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one
CID 115626502
tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86982126
N-(2-hydroxycyclohexyl)-2-methoxy-N-methylacetamide
CID 102634610
1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 43171077
2-tert-butylsulfanyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102635096
3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 61008566
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102631909
N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103798648
2-(1-aminocyclobutyl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102632099
3-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102632066
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 104927471
3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62025239

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 102635529) is N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)N(C)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is QLCVNSUYEDSCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-8-19-13(18)15(9)7-12(17)14(2)10-5-3-4-6-11(10)16/h8,10-11,16H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 102635529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).