5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide

C8H4F3N5OS2 — CID 68832283

IUPAC5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)c1nnc(Sc2nccc(C(F)(F)F)n2)s1
InChIInChI=1S/C8H4F3N5OS2/c9-8(10,11)3-1-2-13-6(14-3)19-7-16-15-5(18-7)4(12)17/h1-2H,(H2,12,17)
InChIKeyHSPCAUCYJHTEEK-UHFFFAOYSA-N
MW307.28 g/mol
LogP1.60
Rot. Bonds3

About 5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide

5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 68832283) has the molecular formula C8H4F3N5OS2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID68832283
Molecular FormulaC8H4F3N5OS2
Molecular Weight307.28 g/mol
Exact Mass306.98
IUPAC Name5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)c1nnc(Sc2nccc(C(F)(F)F)n2)s1
InChIInChI=1S/C8H4F3N5OS2/c9-8(10,11)3-1-2-13-6(14-3)19-7-16-15-5(18-7)4(12)17/h1-2H,(H2,12,17)
InChIKeyHSPCAUCYJHTEEK-UHFFFAOYSA-N
XLogP1.60
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide (CID 68832283) is 5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide is NC(=O)c1nnc(Sc2nccc(C(F)(F)F)n2)s1.
What is the InChIKey of 5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HSPCAUCYJHTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N5OS2/c9-8(10,11)3-1-2-13-6(14-3)19-7-16-15-5(18-7)4(12)17/h1-2H,(H2,12,17).
What are the key properties of 5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide?
5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 68832283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).