(3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C9H12FN3OS — CID 126776448

IUPAC(3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(C)(F)C1
InChIInChI=1S/C9H12FN3OS/c1-6-7(15-12-11-6)8(14)13-4-3-9(2,10)5-13/h3-5H2,1-2H3
InChIKeySBCWDLHXJDWXQB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.42
Rot. Bonds1

About (3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 126776448) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is (3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID126776448
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Name(3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(C)(F)C1
InChIInChI=1S/C9H12FN3OS/c1-6-7(15-12-11-6)8(14)13-4-3-9(2,10)5-13/h3-5H2,1-2H3
InChIKeySBCWDLHXJDWXQB-UHFFFAOYSA-N
XLogP1.42
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746451
4-methyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497137
N-({(2S,4S)-4-fluoro-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]pyrrolidin-2-yl}methyl)-3,3-dimethylbutanamide
CID 70758685
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 126789307
(4-Methylthiadiazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 49718424
1-(4-Methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708348
(4-Methyl-1,2,3-thiadiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092271
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
N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide
CID 114383613

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 126776448) is (3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(C)(F)C1.
What is the InChIKey of (3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is SBCWDLHXJDWXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS/c1-6-7(15-12-11-6)8(14)13-4-3-9(2,10)5-13/h3-5H2,1-2H3.
What are the key properties of (3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 126776448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).