4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine

C10H16N2OS2 — CID 166921161

IUPAC4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine
SMILESCSCc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C10H16N2OS2/c1-14-8-10-11-9(7-15-10)6-12-2-4-13-5-3-12/h7H,2-6,8H2,1H3
InChIKeyMRLIKZOMWDNBNQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.84
Rot. Bonds4

About 4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine

4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine (PubChem CID 166921161) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine
PubChem CID166921161
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine
SMILESCSCc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C10H16N2OS2/c1-14-8-10-11-9(7-15-10)6-12-2-4-13-5-3-12/h7H,2-6,8H2,1H3
InChIKeyMRLIKZOMWDNBNQ-UHFFFAOYSA-N
XLogP1.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine (CID 166921161) is 4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine is CSCc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine?
The InChIKey is MRLIKZOMWDNBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-14-8-10-11-9(7-15-10)6-12-2-4-13-5-3-12/h7H,2-6,8H2,1H3.
What are the key properties of 4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine?
4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine has a molecular weight of 244.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine is sourced from PubChem (CID 166921161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).