2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole

C11H18N2OS — CID 114796190

IUPAC2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole
SMILESCc1nc(COCCC2CCNC2)cs1
InChIInChI=1S/C11H18N2OS/c1-9-13-11(8-15-9)7-14-5-3-10-2-4-12-6-10/h8,10,12H,2-7H2,1H3
InChIKeyZTBFPGUWUDJBRP-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.97
Rot. Bonds5

About 2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole

2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole (PubChem CID 114796190) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole
PubChem CID114796190
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole
SMILESCc1nc(COCCC2CCNC2)cs1
InChIInChI=1S/C11H18N2OS/c1-9-13-11(8-15-9)7-14-5-3-10-2-4-12-6-10/h8,10,12H,2-7H2,1H3
InChIKeyZTBFPGUWUDJBRP-UHFFFAOYSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(piperidin-4-yloxymethyl)-1,3-thiazole
CID 43167825
2-propan-2-yl-4-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole
CID 62372289
4-[6-(azepan-3-yl)hexoxymethyl]-2-cyclohexyl-1,3-thiazole
CID 178064263
2-(2-pyrrolidin-3-ylethoxymethyl)-1,3-benzothiazole
CID 114795968
4-[[(3R,4R)-3-benzylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 124812608
3-(2-propoxyethyl)pyrrolidine
CID 114796170
1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole
CID 114796055
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 62214312
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129466373
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide
CID 62211468
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole (CID 114796190) is 2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole is Cc1nc(COCCC2CCNC2)cs1.
What is the InChIKey of 2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole?
The InChIKey is ZTBFPGUWUDJBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-13-11(8-15-9)7-14-5-3-10-2-4-12-6-10/h8,10,12H,2-7H2,1H3.
What are the key properties of 2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole?
2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole has a molecular weight of 226.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 114796190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).