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

C10H14N2O2S — CID 47005401

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone
SMILESCc1nc(CC(=O)N2CCOCC2)cs1
InChIInChI=1S/C10H14N2O2S/c1-8-11-9(7-15-8)6-10(13)12-2-4-14-5-3-12/h7H,2-6H2,1H3
InChIKeyZGUYZZRXRYNXNN-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.85
Rot. Bonds2

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

2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone (PubChem CID 47005401) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone
PubChem CID47005401
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone
SMILESCc1nc(CC(=O)N2CCOCC2)cs1
InChIInChI=1S/C10H14N2O2S/c1-8-11-9(7-15-8)6-10(13)12-2-4-14-5-3-12/h7H,2-6H2,1H3
InChIKeyZGUYZZRXRYNXNN-UHFFFAOYSA-N
XLogP0.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone (CID 47005401) is 2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone is Cc1nc(CC(=O)N2CCOCC2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone?
The InChIKey is ZGUYZZRXRYNXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8-11-9(7-15-8)6-10(13)12-2-4-14-5-3-12/h7H,2-6H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone has a molecular weight of 226.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 47005401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).