[(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol

C15H20N2OS2 — CID 126813005

IUPAC[(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCc1nc(C)c(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)s1
InChIInChI=1S/C15H20N2OS2/c1-10-15(20-11(2)16-10)7-17-5-13(8-18)14(6-17)12-3-4-19-9-12/h3-4,9,13-14,18H,5-8H2,1-2H3/t13-,14-/m0/s1
InChIKeyPUVJHMRGWOFOLG-KBPBESRZSA-N
MW308.47 g/mol
LogP3.03
Rot. Bonds4

About [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol

[(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol (PubChem CID 126813005) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
PubChem CID126813005
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name[(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCc1nc(C)c(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)s1
InChIInChI=1S/C15H20N2OS2/c1-10-15(20-11(2)16-10)7-17-5-13(8-18)14(6-17)12-3-4-19-9-12/h3-4,9,13-14,18H,5-8H2,1-2H3/t13-,14-/m0/s1
InChIKeyPUVJHMRGWOFOLG-KBPBESRZSA-N
XLogP3.03
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[(3S,4R)-1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
CID 126808344
4-chloro-3-[[(3S,4R)-3-(hydroxymethyl)-4-thiophen-3-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 136583602
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(hydroxymethyl)-4-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 102562013
[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
CID 129399733
5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 131939365
4-[(3S,4R)-3-(hydroxymethyl)-4-thiophen-3-ylpyrrolidin-1-yl]sulfonylbenzamide
CID 129472794
[(3S,4R)-1-(azepan-1-ylsulfonyl)-4-thiophen-3-ylpyrrolidin-3-yl]methanol
CID 129430131
(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 129470952
[(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
CID 129399758
[(3R,4S)-1-(3-methoxythiophen-2-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
CID 129430128
5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 154829009
(3S,5S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 167764837

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol (CID 126813005) is [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol is Cc1nc(C)c(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)s1.
What is the InChIKey of [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is PUVJHMRGWOFOLG-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-10-15(20-11(2)16-10)7-17-5-13(8-18)14(6-17)12-3-4-19-9-12/h3-4,9,13-14,18H,5-8H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
[(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 308.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 126813005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).