(2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol

C9H14N2O2S — CID 126982766

IUPAC(2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol
SMILESCOc1nc(C(O)C2CCCN2)cs1
InChIInChI=1S/C9H14N2O2S/c1-13-9-11-7(5-14-9)8(12)6-3-2-4-10-6/h5-6,8,10,12H,2-4H2,1H3
InChIKeyTUDYHQAIFQNAPO-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.94
Rot. Bonds3

About (2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol

(2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol (PubChem CID 126982766) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol
PubChem CID126982766
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol
SMILESCOc1nc(C(O)C2CCCN2)cs1
InChIInChI=1S/C9H14N2O2S/c1-13-9-11-7(5-14-9)8(12)6-3-2-4-10-6/h5-6,8,10,12H,2-4H2,1H3
InChIKeyTUDYHQAIFQNAPO-UHFFFAOYSA-N
XLogP0.94
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-1,3-thiazol-4-yl)-(2-methylcyclopropyl)methanol
CID 130571343
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
(3-methoxy-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
CID 130673824
2-methoxy-4-propan-2-yl-1,3-thiazole
CID 18736803
(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 135313109
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
(2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol
CID 130854845
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
[(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol
CID 164662100
2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol
CID 142625617
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol
CID 164654104

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol (CID 126982766) is (2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol is COc1nc(C(O)C2CCCN2)cs1.
What is the InChIKey of (2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is TUDYHQAIFQNAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-13-9-11-7(5-14-9)8(12)6-3-2-4-10-6/h5-6,8,10,12H,2-4H2,1H3.
What are the key properties of (2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol?
(2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 214.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 126982766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).