4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine

C12H21N3OS — CID 65484861

IUPAC4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESCOCC1CCN(CCc2csc(N)n2)CC1
InChIInChI=1S/C12H21N3OS/c1-16-8-10-2-5-15(6-3-10)7-4-11-9-17-12(13)14-11/h9-10H,2-8H2,1H3,(H2,13,14)
InChIKeyRJNJWPHXFRSHBG-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.63
Rot. Bonds5

About 4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine

4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine (PubChem CID 65484861) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
PubChem CID65484861
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESCOCC1CCN(CCc2csc(N)n2)CC1
InChIInChI=1S/C12H21N3OS/c1-16-8-10-2-5-15(6-3-10)7-4-11-9-17-12(13)14-11/h9-10H,2-8H2,1H3,(H2,13,14)
InChIKeyRJNJWPHXFRSHBG-UHFFFAOYSA-N
XLogP1.63
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine (CID 65484861) is 4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine is COCC1CCN(CCc2csc(N)n2)CC1.
What is the InChIKey of 4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is RJNJWPHXFRSHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-16-8-10-2-5-15(6-3-10)7-4-11-9-17-12(13)14-11/h9-10H,2-8H2,1H3,(H2,13,14).
What are the key properties of 4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine?
4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65484861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).