[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C9H12N2OS — CID 143704110

IUPAC[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@H]1CCN(C(=O)c2cscn2)C1
InChIInChI=1S/C9H12N2OS/c1-7-2-3-11(4-7)9(12)8-5-13-6-10-8/h5-7H,2-4H2,1H3/t7-/m0/s1
InChIKeyMSSJIYURUCVVKT-ZETCQYMHSA-N
MW196.27 g/mol
LogP1.63
Rot. Bonds1

About [(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 143704110) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is [(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID143704110
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@H]1CCN(C(=O)c2cscn2)C1
InChIInChI=1S/C9H12N2OS/c1-7-2-3-11(4-7)9(12)8-5-13-6-10-8/h5-7H,2-4H2,1H3/t7-/m0/s1
InChIKeyMSSJIYURUCVVKT-ZETCQYMHSA-N
XLogP1.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124619868
(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 115667248
methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 78925984
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 119105527
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 143704110) is [(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is C[C@H]1CCN(C(=O)c2cscn2)C1.
What is the InChIKey of [(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is MSSJIYURUCVVKT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7-2-3-11(4-7)9(12)8-5-13-6-10-8/h5-7H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of [(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 196.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 143704110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).