4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole

C11H10N2S — CID 101480150

IUPAC4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole
SMILESC/C=C/c1ccc(-c2csnn2)cc1
InChIInChI=1S/C11H10N2S/c1-2-3-9-4-6-10(7-5-9)11-8-14-13-12-11/h2-8H,1H3/b3-2+
InChIKeyQIMZPZZKGPNUFI-NSCUHMNNSA-N
MW202.28 g/mol
LogP3.24
Rot. Bonds2

About 4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole

4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole (PubChem CID 101480150) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole
PubChem CID101480150
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole
SMILESC/C=C/c1ccc(-c2csnn2)cc1
InChIInChI=1S/C11H10N2S/c1-2-3-9-4-6-10(7-5-9)11-8-14-13-12-11/h2-8H,1H3/b3-2+
InChIKeyQIMZPZZKGPNUFI-NSCUHMNNSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole?
The IUPAC name of 4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole (CID 101480150) is 4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole.
What is the SMILES notation for 4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole?
The canonical SMILES for 4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole is C/C=C/c1ccc(-c2csnn2)cc1.
What is the InChIKey of 4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole?
The InChIKey is QIMZPZZKGPNUFI-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-3-9-4-6-10(7-5-9)11-8-14-13-12-11/h2-8H,1H3/b3-2+.
What are the key properties of 4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole?
4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole has a molecular weight of 202.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-prop-1-enyl]phenyl]thiadiazole is sourced from PubChem (CID 101480150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).