1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C11H18ClN3S — CID 62890368

IUPAC1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1nc(CCl)cs1
InChIInChI=1S/C11H18ClN3S/c1-14(2)7-10-4-3-5-15(10)11-13-9(6-12)8-16-11/h8,10H,3-7H2,1-2H3
InChIKeyGDGGBJIHWUQNQG-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.41
Rot. Bonds4

About 1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 62890368) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID62890368
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1nc(CCl)cs1
InChIInChI=1S/C11H18ClN3S/c1-14(2)7-10-4-3-5-15(10)11-13-9(6-12)8-16-11/h8,10H,3-7H2,1-2H3
InChIKeyGDGGBJIHWUQNQG-UHFFFAOYSA-N
XLogP2.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole
CID 60974332
1-[1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 83155383
4-(chloromethyl)-2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazole
CID 62122876
1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114220038
N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544175
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 62888189
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole
CID 63390030
1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55128569
2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-4-(chloromethyl)-1,3-thiazole
CID 130978354
N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62960856
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 43532074
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 55127959

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 62890368) is 1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1c1nc(CCl)cs1.
What is the InChIKey of 1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is GDGGBJIHWUQNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-14(2)7-10-4-3-5-15(10)11-13-9(6-12)8-16-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 259.81 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62890368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).