[1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone

C16H24F2N4OS — CID 154855737

IUPAC[1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone
SMILESCc1nsc(NC2C(C)CN(C(=O)C3(C(C)(F)F)CC3)CC2C)n1
InChIInChI=1S/C16H24F2N4OS/c1-9-7-22(13(23)16(5-6-16)15(4,17)18)8-10(2)12(9)20-14-19-11(3)21-24-14/h9-10,12H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyGPQNSVRTEMJVQI-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.18
Rot. Bonds4

About [1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone

[1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone (PubChem CID 154855737) has the molecular formula C16H24F2N4OS and a molecular weight of 358.46 g/mol. Its IUPAC name is [1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone
PubChem CID154855737
Molecular FormulaC16H24F2N4OS
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name[1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone
SMILESCc1nsc(NC2C(C)CN(C(=O)C3(C(C)(F)F)CC3)CC2C)n1
InChIInChI=1S/C16H24F2N4OS/c1-9-7-22(13(23)16(5-6-16)15(4,17)18)8-10(2)12(9)20-14-19-11(3)21-24-14/h9-10,12H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyGPQNSVRTEMJVQI-UHFFFAOYSA-N
XLogP3.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of [1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone (CID 154855737) is [1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for [1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone is Cc1nsc(NC2C(C)CN(C(=O)C3(C(C)(F)F)CC3)CC2C)n1.
What is the InChIKey of [1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone?
The InChIKey is GPQNSVRTEMJVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4OS/c1-9-7-22(13(23)16(5-6-16)15(4,17)18)8-10(2)12(9)20-14-19-11(3)21-24-14/h9-10,12H,5-8H2,1-4H3,(H,19,20,21).
What are the key properties of [1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone?
[1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone has a molecular weight of 358.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 154855737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).