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

C10H14N2O2S2 — CID 3315122

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1csc(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C10H14N2O2S2/c1-8-6-15-10(11-8)16-7-9(13)12-2-4-14-5-3-12/h6H,2-5,7H2,1H3
InChIKeyHKDSFKWRWWCIGG-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.40
Rot. Bonds3

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

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 3315122) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
PubChem CID3315122
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1csc(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C10H14N2O2S2/c1-8-6-15-10(11-8)16-7-9(13)12-2-4-14-5-3-12/h6H,2-5,7H2,1H3
InChIKeyHKDSFKWRWWCIGG-UHFFFAOYSA-N
XLogP1.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone (CID 3315122) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone is Cc1csc(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is HKDSFKWRWWCIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-8-6-15-10(11-8)16-7-9(13)12-2-4-14-5-3-12/h6H,2-5,7H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 258.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 3315122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).