2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole

C11H18N2S — CID 116885178

IUPAC2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCCc1nc(C)c(CC2CCNC2)s1
InChIInChI=1S/C11H18N2S/c1-3-11-13-8(2)10(14-11)6-9-4-5-12-7-9/h9,12H,3-7H2,1-2H3
InChIKeyDVRTXDUDACQLAE-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.17
Rot. Bonds3

About 2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole

2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole (PubChem CID 116885178) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
PubChem CID116885178
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCCc1nc(C)c(CC2CCNC2)s1
InChIInChI=1S/C11H18N2S/c1-3-11-13-8(2)10(14-11)6-9-4-5-12-7-9/h9,12H,3-7H2,1-2H3
InChIKeyDVRTXDUDACQLAE-UHFFFAOYSA-N
XLogP2.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288
2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 116885219
4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
2,4-dimethyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole
CID 122241681
2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 105447590
5,6-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84632613
4,6-dimethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2-thione
CID 105481256
5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 84803170
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
4-methyl-5-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988580

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole (CID 116885178) is 2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole is CCc1nc(C)c(CC2CCNC2)s1.
What is the InChIKey of 2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is DVRTXDUDACQLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-11-13-8(2)10(14-11)6-9-4-5-12-7-9/h9,12H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 210.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116885178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).