2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide

C18H24N4O2S — CID 155026656

IUPAC2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCOCC1CCCN(c2cccc(-c3csc(NC(=O)CN)n3)c2)C1
InChIInChI=1S/C18H24N4O2S/c1-24-11-13-4-3-7-22(10-13)15-6-2-5-14(8-15)16-12-25-18(20-16)21-17(23)9-19/h2,5-6,8,12-13H,3-4,7,9-11,19H2,1H3,(H,20,21,23)
InChIKeyTXTWUWZMBDXUSG-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.57
Rot. Bonds6

About 2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide

2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155026656) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155026656
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCOCC1CCCN(c2cccc(-c3csc(NC(=O)CN)n3)c2)C1
InChIInChI=1S/C18H24N4O2S/c1-24-11-13-4-3-7-22(10-13)15-6-2-5-14(8-15)16-12-25-18(20-16)21-17(23)9-19/h2,5-6,8,12-13H,3-4,7,9-11,19H2,1H3,(H,20,21,23)
InChIKeyTXTWUWZMBDXUSG-UHFFFAOYSA-N
XLogP2.57
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide (CID 155026656) is 2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide is COCC1CCCN(c2cccc(-c3csc(NC(=O)CN)n3)c2)C1.
What is the InChIKey of 2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is TXTWUWZMBDXUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-24-11-13-4-3-7-22(10-13)15-6-2-5-14(8-15)16-12-25-18(20-16)21-17(23)9-19/h2,5-6,8,12-13H,3-4,7,9-11,19H2,1H3,(H,20,21,23).
What are the key properties of 2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155026656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).