4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

C13H18N4O2S2 — CID 86772839

IUPAC4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCCOc1nnc(CN2CCOC(c3nc(C)cs3)C2)s1
InChIInChI=1S/C13H18N4O2S2/c1-3-18-13-16-15-11(21-13)7-17-4-5-19-10(6-17)12-14-9(2)8-20-12/h8,10H,3-7H2,1-2H3
InChIKeyWJMSMHOFFYHAHD-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.28
Rot. Bonds5

About 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 86772839) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID86772839
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCCOc1nnc(CN2CCOC(c3nc(C)cs3)C2)s1
InChIInChI=1S/C13H18N4O2S2/c1-3-18-13-16-15-11(21-13)7-17-4-5-19-10(6-17)12-14-9(2)8-20-12/h8,10H,3-7H2,1-2H3
InChIKeyWJMSMHOFFYHAHD-UHFFFAOYSA-N
XLogP2.28
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-Methyl-1,3-thiazol-2-yl)-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
CID 53538498
4-[1-(5-Methyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 53538520
4-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 53538571
4-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 53538910
4-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 53538916
4-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 53539024
2-(4-Methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 53539030
4-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 53539488
2-(4-Tert-butyl-1,3-thiazol-2-yl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 53540298
4-[(2-Butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 53543164
2-(1-Ethoxyethyl)-4-[[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
CID 60335009
4-[(5-Chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86772830

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 86772839) is 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is CCOc1nnc(CN2CCOC(c3nc(C)cs3)C2)s1.
What is the InChIKey of 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is WJMSMHOFFYHAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-3-18-13-16-15-11(21-13)7-17-4-5-19-10(6-17)12-14-9(2)8-20-12/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 326.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 86772839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).