1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol

C9H13ClN2O2S — CID 130624025

IUPAC1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2csc(Cl)n2)C1
InChIInChI=1S/C9H13ClN2O2S/c10-8-11-7(4-15-8)3-12-2-1-9(14,5-12)6-13/h4,13-14H,1-3,5-6H2
InChIKeyOIEIPTJQDWALAZ-UHFFFAOYSA-N
MW248.73 g/mol
LogP0.73
Rot. Bonds3

About 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol

1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 130624025) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID130624025
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2csc(Cl)n2)C1
InChIInChI=1S/C9H13ClN2O2S/c10-8-11-7(4-15-8)3-12-2-1-9(14,5-12)6-13/h4,13-14H,1-3,5-6H2
InChIKeyOIEIPTJQDWALAZ-UHFFFAOYSA-N
XLogP0.73
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130700479
2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 130552477
1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 130608348
3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 77082470
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
CID 80703333
3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
CID 130679869
[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
CID 126808222
[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
CID 154758210
1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol
CID 136548249
[(2S)-1-[(2-chloro-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 130552786
3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
CID 77092954
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 77089256

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol (CID 130624025) is 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol is OCC1(O)CCN(Cc2csc(Cl)n2)C1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is OIEIPTJQDWALAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c10-8-11-7(4-15-8)3-12-2-1-9(14,5-12)6-13/h4,13-14H,1-3,5-6H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 248.73 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 130624025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).