[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C9H13N3O2S — CID 164641692

IUPAC[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CC[C@H](O)[C@@H]1C
InChIInChI=1S/C9H13N3O2S/c1-5-8(15-11-10-5)9(14)12-4-3-7(13)6(12)2/h6-7,13H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyFWUHYVNBNBHEPH-BQBZGAKWSA-N
MW227.29 g/mol
LogP0.44
Rot. Bonds1

About [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 164641692) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID164641692
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CC[C@H](O)[C@@H]1C
InChIInChI=1S/C9H13N3O2S/c1-5-8(15-11-10-5)9(14)12-4-3-7(13)6(12)2/h6-7,13H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyFWUHYVNBNBHEPH-BQBZGAKWSA-N
XLogP0.44
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
N,4-dimethyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiadiazole-5-carboxamide
CID 164638799
(3S*,4S*)-4-(4,4-difluoro-1-piperidinyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-pyrrolidinol
CID 56911877
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide
CID 107483148
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 113832866
(3-(Hydroxymethyl)morpholino)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 71785826
(4-(3-Hydroxypyrrolidin-1-yl)piperidin-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 91813614
(4-Methylthiadiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 7576679
5-Methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3825192
N-[(2S)-1-hydroxybutan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 7293411
N-[(2R)-1-hydroxybutan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 7293412
(8-Ethyl-1-oxa-4,8-diazaspiro[4.5]dec-4-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 17603596

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 164641692) is [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CC[C@H](O)[C@@H]1C.
What is the InChIKey of [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is FWUHYVNBNBHEPH-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-5-8(15-11-10-5)9(14)12-4-3-7(13)6(12)2/h6-7,13H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 227.29 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 164641692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).