[(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol

C11H18N2OS2 — CID 58328500

IUPAC[(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol
SMILESCc1ncc(SCCN2CCC[C@H]2CO)s1
InChIInChI=1S/C11H18N2OS2/c1-9-12-7-11(16-9)15-6-5-13-4-2-3-10(13)8-14/h7,10,14H,2-6,8H2,1H3/t10-/m0/s1
InChIKeyUFAJUAFODGQHDJ-JTQLQIEISA-N
MW258.41 g/mol
LogP2.00
Rot. Bonds5

About [(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol

[(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol (PubChem CID 58328500) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol
PubChem CID58328500
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name[(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol
SMILESCc1ncc(SCCN2CCC[C@H]2CO)s1
InChIInChI=1S/C11H18N2OS2/c1-9-12-7-11(16-9)15-6-5-13-4-2-3-10(13)8-14/h7,10,14H,2-6,8H2,1H3/t10-/m0/s1
InChIKeyUFAJUAFODGQHDJ-JTQLQIEISA-N
XLogP2.00
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol (CID 58328500) is [(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol is Cc1ncc(SCCN2CCC[C@H]2CO)s1.
What is the InChIKey of [(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is UFAJUAFODGQHDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-9-12-7-11(16-9)15-6-5-13-4-2-3-10(13)8-14/h7,10,14H,2-6,8H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 258.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 58328500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).