2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride

C9H13ClN2O2S — CID 71302586

IUPAC2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)c1nccs1
InChIInChI=1S/C9H12N2O2S.ClH/c12-8(9-10-1-6-14-9)7-11-2-4-13-5-3-11;/h1,6H,2-5,7H2;1H
InChIKeyBPRPYLBDOVAKBW-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.08
Rot. Bonds3

About 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride

2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride (PubChem CID 71302586) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
PubChem CID71302586
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)c1nccs1
InChIInChI=1S/C9H12N2O2S.ClH/c12-8(9-10-1-6-14-9)7-11-2-4-13-5-3-11;/h1,6H,2-5,7H2;1H
InChIKeyBPRPYLBDOVAKBW-UHFFFAOYSA-N
XLogP1.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride (CID 71302586) is 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride is Cl.O=C(CN1CCOCC1)c1nccs1.
What is the InChIKey of 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The InChIKey is BPRPYLBDOVAKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S.ClH/c12-8(9-10-1-6-14-9)7-11-2-4-13-5-3-11;/h1,6H,2-5,7H2;1H.
What are the key properties of 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride has a molecular weight of 248.73 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 71302586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).