N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide

C15H23FN4O2S — CID 70758685

IUPACN-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCc1nnsc1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CC(C)(C)C
InChIInChI=1S/C15H23FN4O2S/c1-9-13(23-19-18-9)14(22)20-8-10(16)5-11(20)7-17-12(21)6-15(2,3)4/h10-11H,5-8H2,1-4H3,(H,17,21)/t10-,11-/m0/s1
InChIKeyDBOJKEOBOGHLRU-QWRGUYRKSA-N
MW342.44 g/mol
LogP1.95
Rot. Bonds4

About N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide

N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 70758685) has the molecular formula C15H23FN4O2S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID70758685
Molecular FormulaC15H23FN4O2S
Molecular Weight342.44 g/mol
Exact Mass342.15
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCc1nnsc1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CC(C)(C)C
InChIInChI=1S/C15H23FN4O2S/c1-9-13(23-19-18-9)14(22)20-8-10(16)5-11(20)7-17-12(21)6-15(2,3)4/h10-11H,5-8H2,1-4H3,(H,17,21)/t10-,11-/m0/s1
InChIKeyDBOJKEOBOGHLRU-QWRGUYRKSA-N
XLogP1.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide
CID 2740849
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide
CID 71858632
N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
CID 91651649
4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95209726
4-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]thiadiazole-5-carboxamide
CID 10152215
N-[2-[[2-[(2R,4S)-4-fluoro-2-isocyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-4-methylthiadiazole-5-carboxamide
CID 58774338
N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-4-methylthiadiazole-5-carboxamide
CID 69562506
N1-((1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49755039
(3-Fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 126776448
N-[4,4-dimethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-4-fluorocyclohexane-1-carboxamide
CID 137928330
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-4-methylthiadiazole-5-carboxamide
CID 145879035
N-[(3S)-3-fluoro-4-[(4-methylthiadiazole-5-carbonyl)amino]butyl]-4-methylthiadiazole-5-carboxamide
CID 166398942

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide (CID 70758685) is N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide is Cc1nnsc1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CC(C)(C)C.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is DBOJKEOBOGHLRU-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H23FN4O2S/c1-9-13(23-19-18-9)14(22)20-8-10(16)5-11(20)7-17-12(21)6-15(2,3)4/h10-11H,5-8H2,1-4H3,(H,17,21)/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 342.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 70758685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).