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

C9H14N2OS — CID 104853409

IUPAC2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCCOc1nc([C@H]2CCCN2)cs1
InChIInChI=1S/C9H14N2OS/c1-2-12-9-11-8(6-13-9)7-4-3-5-10-7/h6-7,10H,2-5H2,1H3/t7-/m1/s1
InChIKeyUOMFRJZWOVLWQI-SSDOTTSWSA-N
MW198.29 g/mol
LogP1.97
Rot. Bonds3

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

2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 104853409) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID104853409
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCCOc1nc([C@H]2CCCN2)cs1
InChIInChI=1S/C9H14N2OS/c1-2-12-9-11-8(6-13-9)7-4-3-5-10-7/h6-7,10H,2-5H2,1H3/t7-/m1/s1
InChIKeyUOMFRJZWOVLWQI-SSDOTTSWSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853403
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246
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
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
N-methyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704146
N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 72942833
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62539820

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole (CID 104853409) is 2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole is CCOc1nc([C@H]2CCCN2)cs1.
What is the InChIKey of 2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is UOMFRJZWOVLWQI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-12-9-11-8(6-13-9)7-4-3-5-10-7/h6-7,10H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 104853409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).