2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide

C6H6Br2N2O2S — CID 164902665

IUPAC2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
SMILESCON(C)C(=O)c1sc(Br)nc1Br
InChIInChI=1S/C6H6Br2N2O2S/c1-10(12-2)5(11)3-4(7)9-6(8)13-3/h1-2H3
InChIKeyBGOWXGYXSUJWBD-UHFFFAOYSA-N
MW330.00 g/mol
LogP2.30
Rot. Bonds2

About 2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide

2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 164902665) has the molecular formula C6H6Br2N2O2S and a molecular weight of 330.00 g/mol. Its IUPAC name is 2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID164902665
Molecular FormulaC6H6Br2N2O2S
Molecular Weight330.00 g/mol
Exact Mass327.85
IUPAC Name2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
SMILESCON(C)C(=O)c1sc(Br)nc1Br
InChIInChI=1S/C6H6Br2N2O2S/c1-10(12-2)5(11)3-4(7)9-6(8)13-3/h1-2H3
InChIKeyBGOWXGYXSUJWBD-UHFFFAOYSA-N
XLogP2.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.00
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-N,4-dimethoxy-N-methyl-1,3-thiazole-5-carboxamide
CID 118609202
2,4-dibromo-N-ethyl-1,3-thiazole-5-carboxamide
CID 70930234
N-methoxy-N,3,4-trimethylthiophene-2-carboxamide
CID 10536001
5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
CID 133061431
3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86666725
4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide
CID 130683669
4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
CID 171366673
4-bromo-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 117258762
N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 118609153
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide
CID 130752501
N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 87192160

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide (CID 164902665) is 2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide is CON(C)C(=O)c1sc(Br)nc1Br.
What is the InChIKey of 2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BGOWXGYXSUJWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2O2S/c1-10(12-2)5(11)3-4(7)9-6(8)13-3/h1-2H3.
What are the key properties of 2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 330.00 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164902665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).