2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride

C9H15ClN2OS — CID 70083466

IUPAC2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride
SMILESCN1CCC[C@H]1COc1nccs1.Cl
InChIInChI=1S/C9H14N2OS.ClH/c1-11-5-2-3-8(11)7-12-9-10-4-6-13-9;/h4,6,8H,2-3,5,7H2,1H3;1H/t8-;/m0./s1
InChIKeyPQTDLDSRCHUFFC-QRPNPIFTSA-N
MW234.75 g/mol
LogP2.04
Rot. Bonds3

About 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride

2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride (PubChem CID 70083466) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride
PubChem CID70083466
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride
SMILESCN1CCC[C@H]1COc1nccs1.Cl
InChIInChI=1S/C9H14N2OS.ClH/c1-11-5-2-3-8(11)7-12-9-10-4-6-13-9;/h4,6,8H,2-3,5,7H2,1H3;1H/t8-;/m0./s1
InChIKeyPQTDLDSRCHUFFC-QRPNPIFTSA-N
XLogP2.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride (CID 70083466) is 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride is CN1CCC[C@H]1COc1nccs1.Cl.
What is the InChIKey of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride?
The InChIKey is PQTDLDSRCHUFFC-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H14N2OS.ClH/c1-11-5-2-3-8(11)7-12-9-10-4-6-13-9;/h4,6,8H,2-3,5,7H2,1H3;1H/t8-;/m0./s1.
What are the key properties of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride?
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride has a molecular weight of 234.75 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 70083466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).