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

C9H14N2OS — CID 54271048

IUPAC2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole
SMILESCN1CCC[C@H]1COc1nccs1
InChIInChI=1S/C9H14N2OS/c1-11-5-2-3-8(11)7-12-9-10-4-6-13-9/h4,6,8H,2-3,5,7H2,1H3/t8-/m0/s1
InChIKeyRKDLHJFSQBIIOP-QMMMGPOBSA-N
MW198.29 g/mol
LogP1.62
Rot. Bonds3

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

2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole (PubChem CID 54271048) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole
PubChem CID54271048
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole
SMILESCN1CCC[C@H]1COc1nccs1
InChIInChI=1S/C9H14N2OS/c1-11-5-2-3-8(11)7-12-9-10-4-6-13-9/h4,6,8H,2-3,5,7H2,1H3/t8-/m0/s1
InChIKeyRKDLHJFSQBIIOP-QMMMGPOBSA-N
XLogP1.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(1,3-thiazol-2-yloxy)cyclopentan-1-amine
CID 126953997
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]-1,3-thiazole
CID 164631730
2-[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-1,3-thiazole
CID 176014946
[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 126792267
2-(1,2,3,5,6,7-Hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole
CID 9859358
2-(2-Pyrrolidin-1-ylethoxy)-1,3-thiazole
CID 10535971
2-[(1-Methylpyrrolidin-2-yl)methoxy]-1,3-thiazole
CID 21851890
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole
CID 57223689
[(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol
CID 58328500
2-(Oxolan-2-yl)-1,3-thiazole
CID 67260446
2-(4-Methoxybutyl)-1,3-thiazole
CID 67274704
1,3-Thiazol-2-ylmethyl 2-ethylpyrrolidine-1-carboxylate
CID 69628927

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole?
The IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole (CID 54271048) is 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole.
What is the SMILES notation for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole?
The canonical SMILES for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole is CN1CCC[C@H]1COc1nccs1.
What is the InChIKey of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole?
The InChIKey is RKDLHJFSQBIIOP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11-5-2-3-8(11)7-12-9-10-4-6-13-9/h4,6,8H,2-3,5,7H2,1H3/t8-/m0/s1.
What are the key properties of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole?
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.62, 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 is sourced from PubChem (CID 54271048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).