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

C14H16N2O3S — CID 99778983

IUPAC[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3C[C@@H](O)C[C@@H]3C)cs2)o1
InChIInChI=1S/C14H16N2O3S/c1-8-5-10(17)6-16(8)14(18)11-7-20-13(15-11)12-4-3-9(2)19-12/h3-4,7-8,10,17H,5-6H2,1-2H3/t8-,10-/m0/s1
InChIKeyPPDJOVIHHMNPPB-WPRPVWTQSA-N
MW292.36 g/mol
LogP2.31
Rot. Bonds2

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

[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 99778983) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is [(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
PubChem CID99778983
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3C[C@@H](O)C[C@@H]3C)cs2)o1
InChIInChI=1S/C14H16N2O3S/c1-8-5-10(17)6-16(8)14(18)11-7-20-13(15-11)12-4-3-9(2)19-12/h3-4,7-8,10,17H,5-6H2,1-2H3/t8-,10-/m0/s1
InChIKeyPPDJOVIHHMNPPB-WPRPVWTQSA-N
XLogP2.31
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxypiperidin-1-yl)-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889567
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889629
(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 32598903
[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95591962
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120747391
[4-(methylaminomethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119546890
[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
CID 136584874
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 38487794
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 120743040
1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168461
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 110003312
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone (CID 99778983) is [(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone is Cc1ccc(-c2nc(C(=O)N3C[C@@H](O)C[C@@H]3C)cs2)o1.
What is the InChIKey of [(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is PPDJOVIHHMNPPB-WPRPVWTQSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-5-10(17)6-16(8)14(18)11-7-20-13(15-11)12-4-3-9(2)19-12/h3-4,7-8,10,17H,5-6H2,1-2H3/t8-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 292.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 99778983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).