2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole

C11H18N2OS — CID 104853403

IUPAC2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCCOC(C)c1nc([C@H]2CCCN2)cs1
InChIInChI=1S/C11H18N2OS/c1-3-14-8(2)11-13-10(7-15-11)9-5-4-6-12-9/h7-9,12H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyBCMIXCPVILSMAH-YGPZHTELSA-N
MW226.34 g/mol
LogP2.67
Rot. Bonds4

About 2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole

2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 104853403) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID104853403
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCCOC(C)c1nc([C@H]2CCCN2)cs1
InChIInChI=1S/C11H18N2OS/c1-3-14-8(2)11-13-10(7-15-11)9-5-4-6-12-9/h7-9,12H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyBCMIXCPVILSMAH-YGPZHTELSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853409
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246
2-(butan-2-ylsulfanylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928731
3-(1-ethoxyethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832351
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
N-methyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704146
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 72942833
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole (CID 104853403) is 2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole is CCOC(C)c1nc([C@H]2CCCN2)cs1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is BCMIXCPVILSMAH-YGPZHTELSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-14-8(2)11-13-10(7-15-11)9-5-4-6-12-9/h7-9,12H,3-6H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of 2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 226.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 104853403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).