(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone

C13H18F2N4O2S — CID 163345763

IUPAC(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone
SMILESCc1nsc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C13H18F2N4O2S/c1-9-16-12(22-17-9)19-6-7-21-10(8-19)11(20)18-4-2-13(14,15)3-5-18/h10H,2-8H2,1H3
InChIKeyXTDNPRJTWMQUFP-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.31
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone (PubChem CID 163345763) has the molecular formula C13H18F2N4O2S and a molecular weight of 332.38 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone
PubChem CID163345763
Molecular FormulaC13H18F2N4O2S
Molecular Weight332.38 g/mol
Exact Mass332.11
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone
SMILESCc1nsc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C13H18F2N4O2S/c1-9-16-12(22-17-9)19-6-7-21-10(8-19)11(20)18-4-2-13(14,15)3-5-18/h10H,2-8H2,1H3
InChIKeyXTDNPRJTWMQUFP-UHFFFAOYSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone (CID 163345763) is (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone is Cc1nsc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone?
The InChIKey is XTDNPRJTWMQUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O2S/c1-9-16-12(22-17-9)19-6-7-21-10(8-19)11(20)18-4-2-13(14,15)3-5-18/h10H,2-8H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone has a molecular weight of 332.38 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanone is sourced from PubChem (CID 163345763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).