4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole

C14H20N2OS — CID 112747574

IUPAC4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole
SMILESCCc1nc(COC2C3CC4CNC2C4C3)cs1
InChIInChI=1S/C14H20N2OS/c1-2-12-16-10(7-18-12)6-17-14-8-3-9-5-15-13(14)11(9)4-8/h7-9,11,13-15H,2-6H2,1H3
InChIKeyXOPCQBWPTXUQTM-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.22
Rot. Bonds4

About 4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole

4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole (PubChem CID 112747574) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole
PubChem CID112747574
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole
SMILESCCc1nc(COC2C3CC4CNC2C4C3)cs1
InChIInChI=1S/C14H20N2OS/c1-2-12-16-10(7-18-12)6-17-14-8-3-9-5-15-13(14)11(9)4-8/h7-9,11,13-15H,2-6H2,1H3
InChIKeyXOPCQBWPTXUQTM-UHFFFAOYSA-N
XLogP2.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxy)-3-propyl-1,2,4-thiadiazole
CID 112747594
2-[(2-ethyl-1,3-thiazol-4-yl)methoxymethyl]-6-methylmorpholine
CID 102633911
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
(2-ethyl-1,3-thiazol-4-yl)methanethiol
CID 39099702
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine
CID 62396376
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119882280
[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445438
(2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate
CID 31601334
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole
CID 154776388

Frequently Asked Questions

What is the IUPAC name of 4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole?
The IUPAC name of 4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole (CID 112747574) is 4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole is CCc1nc(COC2C3CC4CNC2C4C3)cs1.
What is the InChIKey of 4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole?
The InChIKey is XOPCQBWPTXUQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-12-16-10(7-18-12)6-17-14-8-3-9-5-15-13(14)11(9)4-8/h7-9,11,13-15H,2-6H2,1H3.
What are the key properties of 4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole?
4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole has a molecular weight of 264.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole is sourced from PubChem (CID 112747574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).