4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde

C13H20N2O3S — CID 114221607

IUPAC4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N2CCC(OC)CC2C)sc1C=O
InChIInChI=1S/C13H20N2O3S/c1-9-6-10(18-3)4-5-15(9)13-14-11(8-17-2)12(7-16)19-13/h7,9-10H,4-6,8H2,1-3H3
InChIKeyUSWJLZXTSMXTBG-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.11
Rot. Bonds5

About 4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde

4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 114221607) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID114221607
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N2CCC(OC)CC2C)sc1C=O
InChIInChI=1S/C13H20N2O3S/c1-9-6-10(18-3)4-5-15(9)13-14-11(8-17-2)12(7-16)19-13/h7,9-10H,4-6,8H2,1-3H3
InChIKeyUSWJLZXTSMXTBG-UHFFFAOYSA-N
XLogP2.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107508919
4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 107508974
2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509029
2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509145
4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107509111
2-[4-(dimethylamino)piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508976
4-(methoxymethyl)-2-(2-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 107508936
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509017
4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 63917951
2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508921
2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 114279596
5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine
CID 124872866

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 114221607) is 4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is COCc1nc(N2CCC(OC)CC2C)sc1C=O.
What is the InChIKey of 4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is USWJLZXTSMXTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-6-10(18-3)4-5-15(9)13-14-11(8-17-2)12(7-16)19-13/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 284.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(4-methoxy-2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 114221607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).