2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

C11H7BrCl2N2OS — CID 63678715

IUPAC2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CBr)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H7BrCl2N2OS/c12-4-10(17)16-11-15-9(5-18-11)6-1-2-7(13)8(14)3-6/h1-3,5H,4H2,(H,15,16,17)
InChIKeyUJVLSWWERYGDFW-UHFFFAOYSA-N
MW366.07 g/mol
LogP4.45
Rot. Bonds3

About 2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 63678715) has the molecular formula C11H7BrCl2N2OS and a molecular weight of 366.07 g/mol. Its IUPAC name is 2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID63678715
Molecular FormulaC11H7BrCl2N2OS
Molecular Weight366.07 g/mol
Exact Mass363.88
IUPAC Name2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CBr)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H7BrCl2N2OS/c12-4-10(17)16-11-15-9(5-18-11)6-1-2-7(13)8(14)3-6/h1-3,5H,4H2,(H,15,16,17)
InChIKeyUJVLSWWERYGDFW-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.07
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730
[2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-but-2-enoate
CID 7981061
2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2473057
3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 18560857
4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 844119
3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23804517
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1240848
2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87665224
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 30110125
2-bromo-N-[4-(4-but-1-ynylphenyl)-1,3-thiazol-2-yl]acetamide
CID 89120047

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 63678715) is 2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CBr)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UJVLSWWERYGDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2OS/c12-4-10(17)16-11-15-9(5-18-11)6-1-2-7(13)8(14)3-6/h1-3,5H,4H2,(H,15,16,17).
What are the key properties of 2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 366.07 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 63678715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).