thiadiazol-4-yl N-phenylcarbamate

C9H7N3O2S — CID 67362884

IUPACthiadiazol-4-yl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1csnn1
InChIInChI=1S/C9H7N3O2S/c13-9(14-8-6-15-12-11-8)10-7-4-2-1-3-5-7/h1-6H,(H,10,13)
InChIKeyFHDHOYKCGBUIPX-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.15
Rot. Bonds2

About thiadiazol-4-yl N-phenylcarbamate

thiadiazol-4-yl N-phenylcarbamate (PubChem CID 67362884) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is thiadiazol-4-yl N-phenylcarbamate.

Molecular Properties

Compound Namethiadiazol-4-yl N-phenylcarbamate
PubChem CID67362884
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Namethiadiazol-4-yl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1csnn1
InChIInChI=1S/C9H7N3O2S/c13-9(14-8-6-15-12-11-8)10-7-4-2-1-3-5-7/h1-6H,(H,10,13)
InChIKeyFHDHOYKCGBUIPX-UHFFFAOYSA-N
XLogP2.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-yl N-phenylcarbamate
CID 4689975
(5-tert-butyl-1,3,4-thiadiazol-2-yl) N-phenylcarbamate
CID 91182089
1-phenyl-3-(thiadiazol-4-ylmethyl)urea
CID 174441234
2-chloro-N-phenyl-2-(thiadiazol-4-yl)acetamide
CID 141393287
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
phenyl N-(4-iodophenyl)carbamate
CID 73442286
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
CID 68594224
CID 68594224
(3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate
CID 91512945

Frequently Asked Questions

What is the IUPAC name of thiadiazol-4-yl N-phenylcarbamate?
The IUPAC name of thiadiazol-4-yl N-phenylcarbamate (CID 67362884) is thiadiazol-4-yl N-phenylcarbamate.
What is the SMILES notation for thiadiazol-4-yl N-phenylcarbamate?
The canonical SMILES for thiadiazol-4-yl N-phenylcarbamate is O=C(Nc1ccccc1)Oc1csnn1.
What is the InChIKey of thiadiazol-4-yl N-phenylcarbamate?
The InChIKey is FHDHOYKCGBUIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-9(14-8-6-15-12-11-8)10-7-4-2-1-3-5-7/h1-6H,(H,10,13).
What are the key properties of thiadiazol-4-yl N-phenylcarbamate?
thiadiazol-4-yl N-phenylcarbamate has a molecular weight of 221.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-4-yl N-phenylcarbamate is sourced from PubChem (CID 67362884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).