N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide

C8H10F3N3OS — CID 136531036

IUPACN-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide
SMILESCCC(CC(F)(F)F)NC(=O)c1csnn1
InChIInChI=1S/C8H10F3N3OS/c1-2-5(3-8(9,10)11)12-7(15)6-4-16-14-13-6/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyNEZKFOBYRONNDG-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.00
Rot. Bonds4

About N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide

N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide (PubChem CID 136531036) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide
PubChem CID136531036
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide
SMILESCCC(CC(F)(F)F)NC(=O)c1csnn1
InChIInChI=1S/C8H10F3N3OS/c1-2-5(3-8(9,10)11)12-7(15)6-4-16-14-13-6/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyNEZKFOBYRONNDG-UHFFFAOYSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide?
The IUPAC name of N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide (CID 136531036) is N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide is CCC(CC(F)(F)F)NC(=O)c1csnn1.
What is the InChIKey of N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide?
The InChIKey is NEZKFOBYRONNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-2-5(3-8(9,10)11)12-7(15)6-4-16-14-13-6/h4-5H,2-3H2,1H3,(H,12,15).
What are the key properties of N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide?
N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide has a molecular weight of 253.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 136531036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).