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

C12H15BrN2O2S2 — CID 55743062

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CCN1CCSC1=O
InChIInChI=1S/C12H15BrN2O2S2/c1-14(7-10-6-9(13)8-19-10)11(16)2-3-15-4-5-18-12(15)17/h6,8H,2-5,7H2,1H3
InChIKeyAFEDPTWELIXRDW-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.03
Rot. Bonds5

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

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 55743062) has the molecular formula C12H15BrN2O2S2 and a molecular weight of 363.30 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID55743062
Molecular FormulaC12H15BrN2O2S2
Molecular Weight363.30 g/mol
Exact Mass361.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CCN1CCSC1=O
InChIInChI=1S/C12H15BrN2O2S2/c1-14(7-10-6-9(13)8-19-10)11(16)2-3-15-4-5-18-12(15)17/h6,8H,2-5,7H2,1H3
InChIKeyAFEDPTWELIXRDW-UHFFFAOYSA-N
XLogP3.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 55028858
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 47042157
2-methyl-2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]propanoic acid
CID 62818665
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9092219
4-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]benzoic acid
CID 104697911
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
3-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912395
2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 75424655
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 55442791
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 55743062) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CN(Cc1cc(Br)cs1)C(=O)CCN1CCSC1=O.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is AFEDPTWELIXRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S2/c1-14(7-10-6-9(13)8-19-10)11(16)2-3-15-4-5-18-12(15)17/h6,8H,2-5,7H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 363.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 55743062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).