4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole

C10H15ClN2O2S — CID 103536912

IUPAC4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole
SMILESCOC1CN(c2nc(CCl)cs2)CC1OC
InChIInChI=1S/C10H15ClN2O2S/c1-14-8-4-13(5-9(8)15-2)10-12-7(3-11)6-16-10/h6,8-9H,3-5H2,1-2H3
InChIKeySTRYPWVVBDTKSZ-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.73
Rot. Bonds4

About 4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole

4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole (PubChem CID 103536912) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole
PubChem CID103536912
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole
SMILESCOC1CN(c2nc(CCl)cs2)CC1OC
InChIInChI=1S/C10H15ClN2O2S/c1-14-8-4-13(5-9(8)15-2)10-12-7(3-11)6-16-10/h6,8-9H,3-5H2,1-2H3
InChIKeySTRYPWVVBDTKSZ-UHFFFAOYSA-N
XLogP1.73
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540681
ethyl 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 103541690
4-(chloromethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-thiazole
CID 130964274
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 43532074
4-(chloromethyl)-2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazole
CID 63635882
4-(chloromethyl)-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 54989651
2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine
CID 107373590
[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540672
5-(chloromethyl)-6-(3,4-dimethoxypyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 103535533
4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine
CID 43593146
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034
4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole
CID 60974332

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole (CID 103536912) is 4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole is COC1CN(c2nc(CCl)cs2)CC1OC.
What is the InChIKey of 4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is STRYPWVVBDTKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-14-8-4-13(5-9(8)15-2)10-12-7(3-11)6-16-10/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole?
4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 262.76 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 103536912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).