2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole

C9H14N2OS — CID 10535971

IUPAC2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole
SMILESc1csc(OCCN2CCCC2)n1
InChIInChI=1S/C9H14N2OS/c1-2-5-11(4-1)6-7-12-9-10-3-8-13-9/h3,8H,1-2,4-7H2
InChIKeyVKSCNZICINCXJH-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.62
Rot. Bonds4

About 2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole

2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole (PubChem CID 10535971) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole
PubChem CID10535971
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole
SMILESc1csc(OCCN2CCCC2)n1
InChIInChI=1S/C9H14N2OS/c1-2-5-11(4-1)6-7-12-9-10-3-8-13-9/h3,8H,1-2,4-7H2
InChIKeyVKSCNZICINCXJH-UHFFFAOYSA-N
XLogP1.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Pyrrolidin-3-yloxy)methyl]-1,3-thiazole
CID 75356563
2-(3-Pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole
CID 10313490
2-(Thiazol-2-yl)-4,5-dihydrooxazole
CID 57298035
2-[1-(3-Fluoropropyl)azetidin-3-yl]oxy-1,3-thiazole
CID 176014945
2-[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-1,3-thiazole
CID 176014946
2-((1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl)oxy)thiazole
CID 121183553
2-((1-(2,2,2-Trifluoroethyl)azetidin-3-yl)oxy)thiazole
CID 121183571
2-[(1,1-Dimethylpyrrolidin-1-ium-3-yl)oxymethyl]-1,3-thiazole
CID 137630848
2-[(4-Fluoropyrrolidin-3-yl)oxy]-1,3-thiazole
CID 168016878
2-(Pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 17773782
2-Methylidene-3-(1,3-thiazol-2-yloxy)-1,3-oxazolidine
CID 20328460
2-[(1-Methylpyrrolidin-2-yl)methoxy]-1,3-thiazole
CID 21851890

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole?
The IUPAC name of 2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole (CID 10535971) is 2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole is c1csc(OCCN2CCCC2)n1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole?
The InChIKey is VKSCNZICINCXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-5-11(4-1)6-7-12-9-10-3-8-13-9/h3,8H,1-2,4-7H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole?
2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethoxy)-1,3-thiazole is sourced from PubChem (CID 10535971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).