3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

C11H16N2O2S2 — CID 3960859

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESCc1csc(SCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C11H16N2O2S2/c1-9-8-17-11(12-9)16-7-2-10(14)13-3-5-15-6-4-13/h8H,2-7H2,1H3
InChIKeySECMDVPAKPGOHA-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.79
Rot. Bonds4

About 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 3960859) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
PubChem CID3960859
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESCc1csc(SCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C11H16N2O2S2/c1-9-8-17-11(12-9)16-7-2-10(14)13-3-5-15-6-4-13/h8H,2-7H2,1H3
InChIKeySECMDVPAKPGOHA-UHFFFAOYSA-N
XLogP1.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (CID 3960859) is 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is Cc1csc(SCCC(=O)N2CCOCC2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is SECMDVPAKPGOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-9-8-17-11(12-9)16-7-2-10(14)13-3-5-15-6-4-13/h8H,2-7H2,1H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 3960859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).