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

C10H15BrN2S — CID 83694099

IUPAC4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCCc1sc(CC2CCCN2)nc1Br
InChIInChI=1S/C10H15BrN2S/c1-2-8-10(11)13-9(14-8)6-7-4-3-5-12-7/h7,12H,2-6H2,1H3
InChIKeyCSBSOGMDIXIOGC-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.76
Rot. Bonds3

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

4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 83694099) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID83694099
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCCc1sc(CC2CCCN2)nc1Br
InChIInChI=1S/C10H15BrN2S/c1-2-8-10(11)13-9(14-8)6-7-4-3-5-12-7/h7,12H,2-6H2,1H3
InChIKeyCSBSOGMDIXIOGC-UHFFFAOYSA-N
XLogP2.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829047
4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829049
5-(1,1-difluoroethyl)-4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84803169
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
4-(5-bromothiophen-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 55084863
4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 83693596
4-bromo-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84645389
2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 115041792
4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540204
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84795515

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 83694099) is 4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is CCc1sc(CC2CCCN2)nc1Br.
What is the InChIKey of 4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is CSBSOGMDIXIOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-2-8-10(11)13-9(14-8)6-7-4-3-5-12-7/h7,12H,2-6H2,1H3.
What are the key properties of 4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 275.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 83694099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).