2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine

C9H14ClN3O2S — CID 162023288

IUPAC2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine
SMILESNc1cncs1.O=C(CCl)N1CCOCC1
InChIInChI=1S/C6H10ClNO2.C3H4N2S/c7-5-6(9)8-1-3-10-4-2-8;4-3-1-5-2-6-3/h1-5H2;1-2H,4H2
InChIKeyYVAJWEDBOJJNEY-UHFFFAOYSA-N
MW263.75 g/mol
LogP0.81
Rot. Bonds1

About 2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine

2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine (PubChem CID 162023288) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine
PubChem CID162023288
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine
SMILESNc1cncs1.O=C(CCl)N1CCOCC1
InChIInChI=1S/C6H10ClNO2.C3H4N2S/c7-5-6(9)8-1-3-10-4-2-8;4-3-1-5-2-6-3/h1-5H2;1-2H,4H2
InChIKeyYVAJWEDBOJJNEY-UHFFFAOYSA-N
XLogP0.81
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine?
The IUPAC name of 2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine (CID 162023288) is 2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine.
What is the SMILES notation for 2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine?
The canonical SMILES for 2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine is Nc1cncs1.O=C(CCl)N1CCOCC1.
What is the InChIKey of 2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine?
The InChIKey is YVAJWEDBOJJNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2.C3H4N2S/c7-5-6(9)8-1-3-10-4-2-8;4-3-1-5-2-6-3/h1-5H2;1-2H,4H2.
What are the key properties of 2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine?
2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine has a molecular weight of 263.75 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-morpholin-4-ylethanone;1,3-thiazol-5-amine is sourced from PubChem (CID 162023288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).