N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C12H11Cl2N3O2S — CID 71969137

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O2S/c1-7-10(20-6-17-7)11(18)15-2-3-19-12-9(14)4-8(13)5-16-12/h4-6H,2-3H2,1H3,(H,15,18)
InChIKeyXETFFZMSLVOMJD-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.96
Rot. Bonds5

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 71969137) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID71969137
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O2S/c1-7-10(20-6-17-7)11(18)15-2-3-19-12-9(14)4-8(13)5-16-12/h4-6H,2-3H2,1H3,(H,15,18)
InChIKeyXETFFZMSLVOMJD-UHFFFAOYSA-N
XLogP2.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide
CID 75381423
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide
CID 71917382
2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900842
3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900876
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
CID 74766847
N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
4-methyl-N-[2-[[N'-methyl-N-[2-(4-methylphenoxy)ethyl]carbamimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 111277323
N-[2-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 111198263
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
4-methyl-N-[2-[[N'-methyl-N-(3-phenoxypropyl)carbamimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide;hydroiodide
CID 111417572
4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 64532387

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 71969137) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCCOc1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XETFFZMSLVOMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-7-10(20-6-17-7)11(18)15-2-3-19-12-9(14)4-8(13)5-16-12/h4-6H,2-3H2,1H3,(H,15,18).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 332.21 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71969137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).