2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone

C10H13ClN2OS2 — CID 43137998

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone
SMILESO=C(Cc1nc(CCl)cs1)N1CCSCC1
InChIInChI=1S/C10H13ClN2OS2/c11-6-8-7-16-9(12-8)5-10(14)13-1-3-15-4-2-13/h7H,1-6H2
InChIKeyXHXDQADDSKBZGM-UHFFFAOYSA-N
MW276.81 g/mol
LogP2.00
Rot. Bonds3

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone (PubChem CID 43137998) has the molecular formula C10H13ClN2OS2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone
PubChem CID43137998
Molecular FormulaC10H13ClN2OS2
Molecular Weight276.81 g/mol
Exact Mass276.02
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone
SMILESO=C(Cc1nc(CCl)cs1)N1CCSCC1
InChIInChI=1S/C10H13ClN2OS2/c11-6-8-7-16-9(12-8)5-10(14)13-1-3-15-4-2-13/h7H,1-6H2
InChIKeyXHXDQADDSKBZGM-UHFFFAOYSA-N
XLogP2.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone (CID 43137998) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone is O=C(Cc1nc(CCl)cs1)N1CCSCC1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone?
The InChIKey is XHXDQADDSKBZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS2/c11-6-8-7-16-9(12-8)5-10(14)13-1-3-15-4-2-13/h7H,1-6H2.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone has a molecular weight of 276.81 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 43137998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).