phenyl N-(1,3,4-thiadiazol-2-yl)carbamate

C9H7N3O2S — CID 875112

IUPACphenyl N-(1,3,4-thiadiazol-2-yl)carbamate
SMILESO=C(Nc1nncs1)Oc1ccccc1
InChIInChI=1S/C9H7N3O2S/c13-9(11-8-12-10-6-15-8)14-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)
InChIKeyNSXBMBIDWCWNTB-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.15
Rot. Bonds2

About phenyl N-(1,3,4-thiadiazol-2-yl)carbamate

phenyl N-(1,3,4-thiadiazol-2-yl)carbamate (PubChem CID 875112) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is phenyl N-(1,3,4-thiadiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1,3,4-thiadiazol-2-yl)carbamate
PubChem CID875112
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Namephenyl N-(1,3,4-thiadiazol-2-yl)carbamate
SMILESO=C(Nc1nncs1)Oc1ccccc1
InChIInChI=1S/C9H7N3O2S/c13-9(11-8-12-10-6-15-8)14-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)
InChIKeyNSXBMBIDWCWNTB-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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Frequently Asked Questions

What is the IUPAC name of phenyl N-(1,3,4-thiadiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(1,3,4-thiadiazol-2-yl)carbamate (CID 875112) is phenyl N-(1,3,4-thiadiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(1,3,4-thiadiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(1,3,4-thiadiazol-2-yl)carbamate is O=C(Nc1nncs1)Oc1ccccc1.
What is the InChIKey of phenyl N-(1,3,4-thiadiazol-2-yl)carbamate?
The InChIKey is NSXBMBIDWCWNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-9(11-8-12-10-6-15-8)14-7-4-2-1-3-5-7/h1-6H,(H,11,12,13).
What are the key properties of phenyl N-(1,3,4-thiadiazol-2-yl)carbamate?
phenyl N-(1,3,4-thiadiazol-2-yl)carbamate 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 phenyl N-(1,3,4-thiadiazol-2-yl)carbamate is sourced from PubChem (CID 875112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).