4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide

C5H5F2N3OS — CID 135153691

IUPAC4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide
SMILESCNC(=O)c1snnc1C(F)F
InChIInChI=1S/C5H5F2N3OS/c1-8-5(11)3-2(4(6)7)9-10-12-3/h4H,1H3,(H,8,11)
InChIKeyCRYNGZKKDNUUGS-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.84
Rot. Bonds2

About 4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide

4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 135153691) has the molecular formula C5H5F2N3OS and a molecular weight of 193.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide
PubChem CID135153691
Molecular FormulaC5H5F2N3OS
Molecular Weight193.18 g/mol
Exact Mass193.01
IUPAC Name4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide
SMILESCNC(=O)c1snnc1C(F)F
InChIInChI=1S/C5H5F2N3OS/c1-8-5(11)3-2(4(6)7)9-10-12-3/h4H,1H3,(H,8,11)
InChIKeyCRYNGZKKDNUUGS-UHFFFAOYSA-N
XLogP0.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide (CID 135153691) is 4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide is CNC(=O)c1snnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is CRYNGZKKDNUUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3OS/c1-8-5(11)3-2(4(6)7)9-10-12-3/h4H,1H3,(H,8,11).
What are the key properties of 4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide?
4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 193.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 135153691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).