2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide

C11H10Br2N2OS2 — CID 103709212

IUPAC2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
SMILESCCc1cnc(CNC(=O)c2cc(Br)sc2Br)s1
InChIInChI=1S/C11H10Br2N2OS2/c1-2-6-4-14-9(17-6)5-15-11(16)7-3-8(12)18-10(7)13/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyGYNWQBUTAGSWMP-UHFFFAOYSA-N
MW410.16 g/mol
LogP4.22
Rot. Bonds4

About 2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide

2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 103709212) has the molecular formula C11H10Br2N2OS2 and a molecular weight of 410.16 g/mol. Its IUPAC name is 2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
PubChem CID103709212
Molecular FormulaC11H10Br2N2OS2
Molecular Weight410.16 g/mol
Exact Mass407.86
IUPAC Name2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
SMILESCCc1cnc(CNC(=O)c2cc(Br)sc2Br)s1
InChIInChI=1S/C11H10Br2N2OS2/c1-2-6-4-14-9(17-6)5-15-11(16)7-3-8(12)18-10(7)13/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyGYNWQBUTAGSWMP-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.16
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
CID 113245129
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 103709214
4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103709203
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
2-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 103953886
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957294
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-iodo-5-nitrobenzamide
CID 103709179
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide
CID 103693152
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide (CID 103709212) is 2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide is CCc1cnc(CNC(=O)c2cc(Br)sc2Br)s1.
What is the InChIKey of 2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is GYNWQBUTAGSWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2OS2/c1-2-6-4-14-9(17-6)5-15-11(16)7-3-8(12)18-10(7)13/h3-4H,2,5H2,1H3,(H,15,16).
What are the key properties of 2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide?
2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 410.16 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 103709212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).