2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate

C6H6Cl3N3O2S — CID 86625501

IUPAC2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate
SMILESCc1nsc(NC(=O)OCC(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H6Cl3N3O2S/c1-3-10-4(15-12-3)11-5(13)14-2-6(7,8)9/h2H2,1H3,(H,10,11,12,13)
InChIKeyUGTCUGUGWFMAJE-UHFFFAOYSA-N
MW290.56 g/mol
LogP2.77
Rot. Bonds2

About 2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate

2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate (PubChem CID 86625501) has the molecular formula C6H6Cl3N3O2S and a molecular weight of 290.56 g/mol. Its IUPAC name is 2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate
PubChem CID86625501
Molecular FormulaC6H6Cl3N3O2S
Molecular Weight290.56 g/mol
Exact Mass288.92
IUPAC Name2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate
SMILESCc1nsc(NC(=O)OCC(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H6Cl3N3O2S/c1-3-10-4(15-12-3)11-5(13)14-2-6(7,8)9/h2H2,1H3,(H,10,11,12,13)
InChIKeyUGTCUGUGWFMAJE-UHFFFAOYSA-N
XLogP2.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.56
LogP ≤ 52.77
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

2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 130855459
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide
CID 107035956
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 115976440
N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide
CID 115661266
(2S)-2-amino-2-[2-(2,2,2-trichloroethoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 22819001
2,2,2-trichloroethyl N-(2,6-dicyclopropyl-3,5-dimethyl-4-pyridinyl)carbamate
CID 146618652
2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 86245081
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 104694500
2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 115976448
tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate
CID 67062698
methyl 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65268355
2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 102656625

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate?
The IUPAC name of 2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate (CID 86625501) is 2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate.
What is the SMILES notation for 2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate?
The canonical SMILES for 2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate is Cc1nsc(NC(=O)OCC(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate?
The InChIKey is UGTCUGUGWFMAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N3O2S/c1-3-10-4(15-12-3)11-5(13)14-2-6(7,8)9/h2H2,1H3,(H,10,11,12,13).
What are the key properties of 2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate?
2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate has a molecular weight of 290.56 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate is sourced from PubChem (CID 86625501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).