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

C8H9F2N3OS2 — CID 135153410

IUPAC[4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1snnc1C(F)F)N1CCSCC1
InChIInChI=1S/C8H9F2N3OS2/c9-7(10)5-6(16-12-11-5)8(14)13-1-3-15-4-2-13/h7H,1-4H2
InChIKeyNISDBBOUFGWNJF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.66
Rot. Bonds2

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

[4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone (PubChem CID 135153410) has the molecular formula C8H9F2N3OS2 and a molecular weight of 265.31 g/mol. Its IUPAC name is [4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
PubChem CID135153410
Molecular FormulaC8H9F2N3OS2
Molecular Weight265.31 g/mol
Exact Mass265.02
IUPAC Name[4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1snnc1C(F)F)N1CCSCC1
InChIInChI=1S/C8H9F2N3OS2/c9-7(10)5-6(16-12-11-5)8(14)13-1-3-15-4-2-13/h7H,1-4H2
InChIKeyNISDBBOUFGWNJF-UHFFFAOYSA-N
XLogP1.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746451
[4-(Difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone
CID 142383509
(4-Methylthiadiazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 49718424
(4-Methyl-1,2,3-thiadiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092271
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
CID 107491828
N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492592
(4-(2-Fluoroethyl)piperazin-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 121021918
[4-(Difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 154025248
(4-Methyl-1,2,3-thiadiazol-5-yl)(4-(methylsulfonyl)piperidin-1-yl)methanone
CID 71805649
N,N-diethyl-4-methylthiadiazole-5-carboxamide
CID 7576663
(4-Methylthiadiazol-5-yl)-piperidin-1-ylmethanone
CID 7576676
1-Methyl-4-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperazine
CID 7576698

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone (CID 135153410) is [4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone is O=C(c1snnc1C(F)F)N1CCSCC1.
What is the InChIKey of [4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is NISDBBOUFGWNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3OS2/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]-thiomorpholin-4-ylmethanone?
[4-(difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 265.31 g/mol, XLogP of 1.66, 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]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 135153410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).