5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C10H16N2OS — CID 141207783

IUPAC5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCOC[C@@H]1CCCN1Cc1cncs1
InChIInChI=1S/C10H16N2OS/c1-13-7-9-3-2-4-12(9)6-10-5-11-8-14-10/h5,8-9H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyRFJCZKFJSSDBKT-VIFPVBQESA-N
MW212.32 g/mol
LogP1.75
Rot. Bonds4

About 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 141207783) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID141207783
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCOC[C@@H]1CCCN1Cc1cncs1
InChIInChI=1S/C10H16N2OS/c1-13-7-9-3-2-4-12(9)6-10-5-11-8-14-10/h5,8-9H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyRFJCZKFJSSDBKT-VIFPVBQESA-N
XLogP1.75
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 141207783) is 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is COC[C@@H]1CCCN1Cc1cncs1.
What is the InChIKey of 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is RFJCZKFJSSDBKT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2OS/c1-13-7-9-3-2-4-12(9)6-10-5-11-8-14-10/h5,8-9H,2-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 212.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 141207783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).