methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate

C5H4F3N3O2S — CID 134096775

IUPACmethyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate
SMILESCOC(=O)Nc1snnc1C(F)(F)F
InChIInChI=1S/C5H4F3N3O2S/c1-13-4(12)9-3-2(5(6,7)8)10-11-14-3/h1H3,(H,9,12)
InChIKeyZJPYQZXMQPZJGJ-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.74
Rot. Bonds1

About methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate

methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate (PubChem CID 134096775) has the molecular formula C5H4F3N3O2S and a molecular weight of 227.17 g/mol. Its IUPAC name is methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate
PubChem CID134096775
Molecular FormulaC5H4F3N3O2S
Molecular Weight227.17 g/mol
Exact Mass227.00
IUPAC Namemethyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate
SMILESCOC(=O)Nc1snnc1C(F)(F)F
InChIInChI=1S/C5H4F3N3O2S/c1-13-4(12)9-3-2(5(6,7)8)10-11-14-3/h1H3,(H,9,12)
InChIKeyZJPYQZXMQPZJGJ-UHFFFAOYSA-N
XLogP1.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
CID 1479490
(4-Methylthiadiazol-5-yl)carbamic acid
CID 20532032
propyl N-(4-methylthiadiazol-5-yl)carbamate
CID 130009519

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate?
The IUPAC name of methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate (CID 134096775) is methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate.
What is the SMILES notation for methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate?
The canonical SMILES for methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate is COC(=O)Nc1snnc1C(F)(F)F.
What is the InChIKey of methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate?
The InChIKey is ZJPYQZXMQPZJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2S/c1-13-4(12)9-3-2(5(6,7)8)10-11-14-3/h1H3,(H,9,12).
What are the key properties of methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate?
methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate has a molecular weight of 227.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate is sourced from PubChem (CID 134096775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).