(2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone

C14H12Cl2N2O3S — CID 10361076

IUPAC(2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1sc(N2CCOCC2)nc1O
InChIInChI=1S/C14H12Cl2N2O3S/c15-8-1-2-9(10(16)7-8)11(19)12-13(20)17-14(22-12)18-3-5-21-6-4-18/h1-2,7,20H,3-6H2
InChIKeyJZOPACLFXQHXOM-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.22
Rot. Bonds3

About (2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone

(2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone (PubChem CID 10361076) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
PubChem CID10361076
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC Name(2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1sc(N2CCOCC2)nc1O
InChIInChI=1S/C14H12Cl2N2O3S/c15-8-1-2-9(10(16)7-8)11(19)12-13(20)17-14(22-12)18-3-5-21-6-4-18/h1-2,7,20H,3-6H2
InChIKeyJZOPACLFXQHXOM-UHFFFAOYSA-N
XLogP3.22
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone (CID 10361076) is (2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone is O=C(c1ccc(Cl)cc1Cl)c1sc(N2CCOCC2)nc1O.
What is the InChIKey of (2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is JZOPACLFXQHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c15-8-1-2-9(10(16)7-8)11(19)12-13(20)17-14(22-12)18-3-5-21-6-4-18/h1-2,7,20H,3-6H2.
What are the key properties of (2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
(2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 359.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 10361076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).