[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

C15H15Cl2N3O2S — CID 56878046

IUPAC[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)cs1
InChIInChI=1S/C15H15Cl2N3O2S/c1-18-15-19-12(8-23-15)14(21)20-4-5-22-13(7-20)9-2-3-10(16)11(17)6-9/h2-3,6,8,13H,4-5,7H2,1H3,(H,18,19)
InChIKeySJRCBJFAQFWMNZ-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.71
Rot. Bonds3

About [2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 56878046) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID56878046
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)cs1
InChIInChI=1S/C15H15Cl2N3O2S/c1-18-15-19-12(8-23-15)14(21)20-4-5-22-13(7-20)9-2-3-10(16)11(17)6-9/h2-3,6,8,13H,4-5,7H2,1H3,(H,18,19)
InChIKeySJRCBJFAQFWMNZ-UHFFFAOYSA-N
XLogP3.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 119769224
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95561076
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
[(2S,6R)-2-(1,3-benzodioxol-5-yl)-6-phenylmorpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 155915678
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 95202636
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 56878046) is [2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)cs1.
What is the InChIKey of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is SJRCBJFAQFWMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-18-15-19-12(8-23-15)14(21)20-4-5-22-13(7-20)9-2-3-10(16)11(17)6-9/h2-3,6,8,13H,4-5,7H2,1H3,(H,18,19).
What are the key properties of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 372.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 56878046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).