ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole

C13H24N2OS — CID 143779383

IUPACethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC.CCOCc1csc(C2CCNCC2)n1
InChIInChI=1S/C11H18N2OS.C2H6/c1-2-14-7-10-8-15-11(13-10)9-3-5-12-6-4-9;1-2/h8-9,12H,2-7H2,1H3;1-2H3
InChIKeyWWTWXBCOLKHFCB-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.17
Rot. Bonds4

About ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole

ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 143779383) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID143779383
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Nameethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC.CCOCc1csc(C2CCNCC2)n1
InChIInChI=1S/C11H18N2OS.C2H6/c1-2-14-7-10-8-15-11(13-10)9-3-5-12-6-4-9;1-2/h8-9,12H,2-7H2,1H3;1-2H3
InChIKeyWWTWXBCOLKHFCB-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole (CID 143779383) is ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole is CC.CCOCc1csc(C2CCNCC2)n1.
What is the InChIKey of ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is WWTWXBCOLKHFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS.C2H6/c1-2-14-7-10-8-15-11(13-10)9-3-5-12-6-4-9;1-2/h8-9,12H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole?
ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 256.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 143779383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).