2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole

C11H18N2OS — CID 122241681

IUPAC2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole
SMILESCc1nc(C)c(COCC2CCNC2)s1
InChIInChI=1S/C11H18N2OS/c1-8-11(15-9(2)13-8)7-14-6-10-3-4-12-5-10/h10,12H,3-7H2,1-2H3
InChIKeyBRTJYMKRERYGIO-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.89
Rot. Bonds4

About 2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole

2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole (PubChem CID 122241681) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole
PubChem CID122241681
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole
SMILESCc1nc(C)c(COCC2CCNC2)s1
InChIInChI=1S/C11H18N2OS/c1-8-11(15-9(2)13-8)7-14-6-10-3-4-12-5-10/h10,12H,3-7H2,1-2H3
InChIKeyBRTJYMKRERYGIO-UHFFFAOYSA-N
XLogP1.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole
CID 122241636
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole
CID 97163860
3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole
CID 62371586
2-propan-2-yl-4-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole
CID 62372289
2-(pyrrolidin-3-ylmethoxymethyl)pyrimidine
CID 62698828
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885178
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
5-(methoxymethyl)-2,4-dimethyl-1,3-thiazole
CID 58826708
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
1-methyl-4-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 62371587

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole (CID 122241681) is 2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole is Cc1nc(C)c(COCC2CCNC2)s1.
What is the InChIKey of 2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole?
The InChIKey is BRTJYMKRERYGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-11(15-9(2)13-8)7-14-6-10-3-4-12-5-10/h10,12H,3-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole?
2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole has a molecular weight of 226.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 122241681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).