N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C10H11BrN2O2S2 — CID 32775046

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H11BrN2O2S2/c11-8-2-1-7(17-8)3-12-9(14)4-13-6-16-5-10(13)15/h1-2H,3-6H2,(H,12,14)
InChIKeyCRXQORYBVNSZJV-UHFFFAOYSA-N
MW335.25 g/mol
LogP1.66
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 32775046) has the molecular formula C10H11BrN2O2S2 and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID32775046
Molecular FormulaC10H11BrN2O2S2
Molecular Weight335.25 g/mol
Exact Mass333.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H11BrN2O2S2/c11-8-2-1-7(17-8)3-12-9(14)4-13-6-16-5-10(13)15/h1-2H,3-6H2,(H,12,14)
InChIKeyCRXQORYBVNSZJV-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78864516
N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9209720
N-[(5-bromothiophen-2-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 32776574
N-(furan-2-ylmethyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 30376287
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515
2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61328653
N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32778294
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 62815486
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55866206
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43354693
N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide
CID 138041285

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 32775046) is N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is CRXQORYBVNSZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S2/c11-8-2-1-7(17-8)3-12-9(14)4-13-6-16-5-10(13)15/h1-2H,3-6H2,(H,12,14).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 335.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 32775046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).