4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide

C7H7F2N3OS — CID 142383522

IUPAC4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide
SMILESC=CCNC(=O)c1snnc1C(F)F
InChIInChI=1S/C7H7F2N3OS/c1-2-3-10-7(13)5-4(6(8)9)11-12-14-5/h2,6H,1,3H2,(H,10,13)
InChIKeyXZGOPMVYONQRGH-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.39
Rot. Bonds4

About 4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide

4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide (PubChem CID 142383522) has the molecular formula C7H7F2N3OS and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide
PubChem CID142383522
Molecular FormulaC7H7F2N3OS
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC Name4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide
SMILESC=CCNC(=O)c1snnc1C(F)F
InChIInChI=1S/C7H7F2N3OS/c1-2-3-10-7(13)5-4(6(8)9)11-12-14-5/h2,6H,1,3H2,(H,10,13)
InChIKeyXZGOPMVYONQRGH-UHFFFAOYSA-N
XLogP1.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide (CID 142383522) is 4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide is C=CCNC(=O)c1snnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide?
The InChIKey is XZGOPMVYONQRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3OS/c1-2-3-10-7(13)5-4(6(8)9)11-12-14-5/h2,6H,1,3H2,(H,10,13).
What are the key properties of 4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide?
4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-prop-2-enylthiadiazole-5-carboxamide is sourced from PubChem (CID 142383522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).