1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone

C12H18N2O3S2 — CID 81208290

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone
SMILESCc1nc(CSCC(=O)N2CCOC(CO)C2)cs1
InChIInChI=1S/C12H18N2O3S2/c1-9-13-10(7-19-9)6-18-8-12(16)14-2-3-17-11(4-14)5-15/h7,11,15H,2-6,8H2,1H3
InChIKeyGYPCDJYYFCOERT-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.90
Rot. Bonds5

About 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone

1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone (PubChem CID 81208290) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone
PubChem CID81208290
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone
SMILESCc1nc(CSCC(=O)N2CCOC(CO)C2)cs1
InChIInChI=1S/C12H18N2O3S2/c1-9-13-10(7-19-9)6-18-8-12(16)14-2-3-17-11(4-14)5-15/h7,11,15H,2-6,8H2,1H3
InChIKeyGYPCDJYYFCOERT-UHFFFAOYSA-N
XLogP0.90
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone (CID 81208290) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone is Cc1nc(CSCC(=O)N2CCOC(CO)C2)cs1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone?
The InChIKey is GYPCDJYYFCOERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-9-13-10(7-19-9)6-18-8-12(16)14-2-3-17-11(4-14)5-15/h7,11,15H,2-6,8H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone is sourced from PubChem (CID 81208290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).