N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide

C12H16Cl3N3O2S — CID 70487920

IUPACN-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCN(C(=O)C(O)c1nc(C(Cl)(Cl)Cl)ns1)C1CCCCC1
InChIInChI=1S/C12H16Cl3N3O2S/c1-18(7-5-3-2-4-6-7)10(20)8(19)9-16-11(17-21-9)12(13,14)15/h7-8,19H,2-6H2,1H3
InChIKeyXOHTXZNBTUEEGB-UHFFFAOYSA-N
MW372.71 g/mol
LogP3.19
Rot. Bonds3

About N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide

N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 70487920) has the molecular formula C12H16Cl3N3O2S and a molecular weight of 372.71 g/mol. Its IUPAC name is N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID70487920
Molecular FormulaC12H16Cl3N3O2S
Molecular Weight372.71 g/mol
Exact Mass371.00
IUPAC NameN-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCN(C(=O)C(O)c1nc(C(Cl)(Cl)Cl)ns1)C1CCCCC1
InChIInChI=1S/C12H16Cl3N3O2S/c1-18(7-5-3-2-4-6-7)10(20)8(19)9-16-11(17-21-9)12(13,14)15/h7-8,19H,2-6H2,1H3
InChIKeyXOHTXZNBTUEEGB-UHFFFAOYSA-N
XLogP3.19
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
CID 70509626
2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 88672301

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 70487920) is N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide is CN(C(=O)C(O)c1nc(C(Cl)(Cl)Cl)ns1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is XOHTXZNBTUEEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3N3O2S/c1-18(7-5-3-2-4-6-7)10(20)8(19)9-16-11(17-21-9)12(13,14)15/h7-8,19H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 372.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 70487920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).