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

C8H12N2OS — CID 139682098

IUPAC2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole
SMILESc1csc(OCN2CCCC2)n1
InChIInChI=1S/C8H12N2OS/c1-2-5-10(4-1)7-11-8-9-3-6-12-8/h3,6H,1-2,4-5,7H2
InChIKeySEKMNOMUXKUDOH-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.58
Rot. Bonds3

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

2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole (PubChem CID 139682098) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole
PubChem CID139682098
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole
SMILESc1csc(OCN2CCCC2)n1
InChIInChI=1S/C8H12N2OS/c1-2-5-10(4-1)7-11-8-9-3-6-12-8/h3,6H,1-2,4-5,7H2
InChIKeySEKMNOMUXKUDOH-UHFFFAOYSA-N
XLogP1.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole
CID 20662394
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]-1,3-thiazole
CID 164631730
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
2-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]acetamide
CID 163357599
N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 60659943
4-(1,3-thiazol-2-ylmethyl)-1,4-thiazepane
CID 84592058
2-butoxy-1,3-thiazole;propane
CID 143891119
2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165434930
2-(1-propylazetidin-3-yl)oxy-1,3-thiazole
CID 170950687
2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole
CID 163357902
2-(oxan-4-ylmethoxy)-1,3-thiazole
CID 126953986
tert-butyl (2R)-2-[3-(1,3-thiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 97173228

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole?
The IUPAC name of 2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole (CID 139682098) is 2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole?
The canonical SMILES for 2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole is c1csc(OCN2CCCC2)n1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole?
The InChIKey is SEKMNOMUXKUDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-5-10(4-1)7-11-8-9-3-6-12-8/h3,6H,1-2,4-5,7H2.
What are the key properties of 2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole?
2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole has a molecular weight of 184.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole is sourced from PubChem (CID 139682098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).