[2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C14H21N3O2S — CID 53015921

IUPAC[2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCC1CCCN(c2nc(C(=O)N3CCOCC3)cs2)C1
InChIInChI=1S/C14H21N3O2S/c1-11-3-2-4-17(9-11)14-15-12(10-20-14)13(18)16-5-7-19-8-6-16/h10-11H,2-9H2,1H3
InChIKeyHMKXLXRUBOOXSY-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.85
Rot. Bonds2

About [2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 53015921) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID53015921
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name[2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCC1CCCN(c2nc(C(=O)N3CCOCC3)cs2)C1
InChIInChI=1S/C14H21N3O2S/c1-11-3-2-4-17(9-11)14-15-12(10-20-14)13(18)16-5-7-19-8-6-16/h10-11H,2-9H2,1H3
InChIKeyHMKXLXRUBOOXSY-UHFFFAOYSA-N
XLogP1.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(Pyrrolidine-1-carbonyl)-1,3-thiazol-2-YL]piperidine
CID 53015911
[1-(4-Carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487406
[2-(4-Methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 53014669
[2-(4-Methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 53014670
Morpholino[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methanone
CID 53015903
1-[4-[4-[(4-Methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 53158595
2-Methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 53158597
Cyclohexyl{4-[4-(morpholinomethyl)-1,3-thiazol-2-yl]piperazino}methanone
CID 53158614
2-Cyclopentyl-1-{4-[4-(morpholinomethyl)-1,3-thiazol-2-yl]piperazino}-1-ethanone
CID 53158622
Cyclopentyl{4-[4-(morpholinomethyl)-1,3-thiazol-2-yl]piperazino}methanone
CID 53158628
Cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158629
Cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 53015921) is [2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is CC1CCCN(c2nc(C(=O)N3CCOCC3)cs2)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is HMKXLXRUBOOXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11-3-2-4-17(9-11)14-15-12(10-20-14)13(18)16-5-7-19-8-6-16/h10-11H,2-9H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 295.41 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53015921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).