N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide

C6H5F3N4O2S — CID 1499252

IUPACN-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1NC(=O)C(F)(F)F
InChIInChI=1S/C6H5F3N4O2S/c1-10-3(14)2-4(16-13-12-2)11-5(15)6(7,8)9/h1H3,(H,10,14)(H,11,15)
InChIKeyBGDOHSCQJHTZPB-UHFFFAOYSA-N
MW254.19 g/mol
LogP0.40
Rot. Bonds2

About N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide

N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide (PubChem CID 1499252) has the molecular formula C6H5F3N4O2S and a molecular weight of 254.19 g/mol. Its IUPAC name is N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide
PubChem CID1499252
Molecular FormulaC6H5F3N4O2S
Molecular Weight254.19 g/mol
Exact Mass254.01
IUPAC NameN-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1NC(=O)C(F)(F)F
InChIInChI=1S/C6H5F3N4O2S/c1-10-3(14)2-4(16-13-12-2)11-5(15)6(7,8)9/h1H3,(H,10,14)(H,11,15)
InChIKeyBGDOHSCQJHTZPB-UHFFFAOYSA-N
XLogP0.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide?
The IUPAC name of N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide (CID 1499252) is N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide is CNC(=O)c1nnsc1NC(=O)C(F)(F)F.
What is the InChIKey of N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide?
The InChIKey is BGDOHSCQJHTZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O2S/c1-10-3(14)2-4(16-13-12-2)11-5(15)6(7,8)9/h1H3,(H,10,14)(H,11,15).
What are the key properties of N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide?
N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide has a molecular weight of 254.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiadiazole-4-carboxamide is sourced from PubChem (CID 1499252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).