(4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone

C13H16F3N3O2S — CID 128532110

IUPAC(4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2snnc2C2CC2)CC(C(F)(F)F)O1
InChIInChI=1S/C13H16F3N3O2S/c1-12(2)6-19(5-8(21-12)13(14,15)16)11(20)10-9(7-3-4-7)17-18-22-10/h7-8H,3-6H2,1-2H3
InChIKeyYBAXMLWKRLBLKB-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.60
Rot. Bonds2

About (4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone

(4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 128532110) has the molecular formula C13H16F3N3O2S and a molecular weight of 335.35 g/mol. Its IUPAC name is (4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID128532110
Molecular FormulaC13H16F3N3O2S
Molecular Weight335.35 g/mol
Exact Mass335.09
IUPAC Name(4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2snnc2C2CC2)CC(C(F)(F)F)O1
InChIInChI=1S/C13H16F3N3O2S/c1-12(2)6-19(5-8(21-12)13(14,15)16)11(20)10-9(7-3-4-7)17-18-22-10/h7-8H,3-6H2,1-2H3
InChIKeyYBAXMLWKRLBLKB-UHFFFAOYSA-N
XLogP2.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone (CID 128532110) is (4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone is CC1(C)CN(C(=O)c2snnc2C2CC2)CC(C(F)(F)F)O1.
What is the InChIKey of (4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is YBAXMLWKRLBLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2S/c1-12(2)6-19(5-8(21-12)13(14,15)16)11(20)10-9(7-3-4-7)17-18-22-10/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
(4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 335.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 128532110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).