N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide

C11H14F3N3OS — CID 146127806

IUPACN-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(C)(C1CC1)C(F)(F)F
InChIInChI=1S/C11H14F3N3OS/c1-3-7-8(19-17-16-7)9(18)15-10(2,6-4-5-6)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,18)
InChIKeyQIQJHMIRZVRLGE-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.56
Rot. Bonds4

About N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide

N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 146127806) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide
PubChem CID146127806
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(C)(C1CC1)C(F)(F)F
InChIInChI=1S/C11H14F3N3OS/c1-3-7-8(19-17-16-7)9(18)15-10(2,6-4-5-6)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,18)
InChIKeyQIQJHMIRZVRLGE-UHFFFAOYSA-N
XLogP2.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide (CID 146127806) is N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC(C)(C1CC1)C(F)(F)F.
What is the InChIKey of N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is QIQJHMIRZVRLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-3-7-8(19-17-16-7)9(18)15-10(2,6-4-5-6)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,18).
What are the key properties of N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide?
N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 146127806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).