4-phenylthiadiazole-5-carboxamide

C9H7N3OS — CID 2804329

IUPAC4-phenylthiadiazole-5-carboxamide
SMILESNC(=O)c1snnc1-c1ccccc1
InChIInChI=1S/C9H7N3OS/c10-9(13)8-7(11-12-14-8)6-4-2-1-3-5-6/h1-5H,(H2,10,13)
InChIKeyAEVRTCCOTSBSGD-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.30
Rot. Bonds2

About 4-phenylthiadiazole-5-carboxamide

4-phenylthiadiazole-5-carboxamide (PubChem CID 2804329) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-phenylthiadiazole-5-carboxamide
PubChem CID2804329
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name4-phenylthiadiazole-5-carboxamide
SMILESNC(=O)c1snnc1-c1ccccc1
InChIInChI=1S/C9H7N3OS/c10-9(13)8-7(11-12-14-8)6-4-2-1-3-5-6/h1-5H,(H2,10,13)
InChIKeyAEVRTCCOTSBSGD-UHFFFAOYSA-N
XLogP1.30
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylthiadiazole-5-carboxamide?
The IUPAC name of 4-phenylthiadiazole-5-carboxamide (CID 2804329) is 4-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-phenylthiadiazole-5-carboxamide?
The canonical SMILES for 4-phenylthiadiazole-5-carboxamide is NC(=O)c1snnc1-c1ccccc1.
What is the InChIKey of 4-phenylthiadiazole-5-carboxamide?
The InChIKey is AEVRTCCOTSBSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c10-9(13)8-7(11-12-14-8)6-4-2-1-3-5-6/h1-5H,(H2,10,13).
What are the key properties of 4-phenylthiadiazole-5-carboxamide?
4-phenylthiadiazole-5-carboxamide has a molecular weight of 205.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 2804329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).