(3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C7H8FN3OS — CID 130736146

IUPAC(3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CC(F)C1
InChIInChI=1S/C7H8FN3OS/c1-4-6(13-10-9-4)7(12)11-2-5(8)3-11/h5H,2-3H2,1H3
InChIKeyMGTCIWZZNRNLNF-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.64
Rot. Bonds1

About (3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 130736146) has the molecular formula C7H8FN3OS and a molecular weight of 201.23 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID130736146
Molecular FormulaC7H8FN3OS
Molecular Weight201.23 g/mol
Exact Mass201.04
IUPAC Name(3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CC(F)C1
InChIInChI=1S/C7H8FN3OS/c1-4-6(13-10-9-4)7(12)11-2-5(8)3-11/h5H,2-3H2,1H3
InChIKeyMGTCIWZZNRNLNF-UHFFFAOYSA-N
XLogP0.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497137
N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
CID 91651649
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 126789307
4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 142383518
1-(4-Methyl-1,2,3-thiadiazole-5-carbonyl)-4-(propan-2-YL)piperazine
CID 53016991
(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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide
CID 107483148
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
CID 107491301
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
CID 107491828
N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492210
N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492592

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 130736146) is (3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is MGTCIWZZNRNLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3OS/c1-4-6(13-10-9-4)7(12)11-2-5(8)3-11/h5H,2-3H2,1H3.
What are the key properties of (3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 201.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 130736146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).