2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

C14H14Cl2N2O2S — CID 52899426

IUPAC2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-12(13(19)17-6-7-20-2)21-14(18-8)11-9(15)4-3-5-10(11)16/h3-5H,6-7H2,1-2H3,(H,17,19)
InChIKeyRYUCZGHRGLNGCZ-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.80
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 52899426) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID52899426
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-12(13(19)17-6-7-20-2)21-14(18-8)11-9(15)4-3-5-10(11)16/h3-5H,6-7H2,1-2H3,(H,17,19)
InChIKeyRYUCZGHRGLNGCZ-UHFFFAOYSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dichlorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 42537023
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 71949658
2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 75269827
2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42650194
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55877382
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
N-[2-(2,3-dichlorophenyl)ethyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55972219
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59337953

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 52899426) is 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is COCCNC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RYUCZGHRGLNGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-8-12(13(19)17-6-7-20-2)21-14(18-8)11-9(15)4-3-5-10(11)16/h3-5H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 345.25 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 52899426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).