2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H15BrClN3O3S — CID 19202995

IUPAC2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2Br)s1
InChIInChI=1S/C14H15BrClN3O3S/c1-7-4-9(12(15)8(2)13(7)16)22-5-10(20)17-14-19-18-11(23-14)6-21-3/h4H,5-6H2,1-3H3,(H,17,19,20)
InChIKeyDDXHLNDIKLVQGW-UHFFFAOYSA-N
MW420.72 g/mol
LogP3.73
Rot. Bonds6

About 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 19202995) has the molecular formula C14H15BrClN3O3S and a molecular weight of 420.72 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID19202995
Molecular FormulaC14H15BrClN3O3S
Molecular Weight420.72 g/mol
Exact Mass418.97
IUPAC Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2Br)s1
InChIInChI=1S/C14H15BrClN3O3S/c1-7-4-9(12(15)8(2)13(7)16)22-5-10(20)17-14-19-18-11(23-14)6-21-3/h4H,5-6H2,1-3H3,(H,17,19,20)
InChIKeyDDXHLNDIKLVQGW-UHFFFAOYSA-N
XLogP3.73
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.72
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178715
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19201755
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 19205951
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406712
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
2-[[2-(2-bromo-4-chloro-3,5-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1179584
2-(2-tert-butylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 733445
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203207
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(6-butan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 53269114
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203196
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-prop-2-enylacetamide
CID 19201327
2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3158232

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 19202995) is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2Br)s1.
What is the InChIKey of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is DDXHLNDIKLVQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O3S/c1-7-4-9(12(15)8(2)13(7)16)22-5-10(20)17-14-19-18-11(23-14)6-21-3/h4H,5-6H2,1-3H3,(H,17,19,20).
What are the key properties of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 420.72 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 19202995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).