[4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone

C8H9F2N3O2S — CID 142383509

IUPAC[4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1snnc1C(F)F)N1CCOCC1
InChIInChI=1S/C8H9F2N3O2S/c9-7(10)5-6(16-12-11-5)8(14)13-1-3-15-4-2-13/h7H,1-4H2
InChIKeyNSLDAPKEZAFAOT-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.95
Rot. Bonds2

About [4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone

[4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 142383509) has the molecular formula C8H9F2N3O2S and a molecular weight of 249.24 g/mol. Its IUPAC name is [4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID142383509
Molecular FormulaC8H9F2N3O2S
Molecular Weight249.24 g/mol
Exact Mass249.04
IUPAC Name[4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1snnc1C(F)F)N1CCOCC1
InChIInChI=1S/C8H9F2N3O2S/c9-7(10)5-6(16-12-11-5)8(14)13-1-3-15-4-2-13/h7H,1-4H2
InChIKeyNSLDAPKEZAFAOT-UHFFFAOYSA-N
XLogP0.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone (CID 142383509) is [4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone is O=C(c1snnc1C(F)F)N1CCOCC1.
What is the InChIKey of [4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is NSLDAPKEZAFAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2S/c9-7(10)5-6(16-12-11-5)8(14)13-1-3-15-4-2-13/h7H,1-4H2.
What are the key properties of [4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone?
[4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 249.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 142383509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).