3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide

C12H15BrN2OS — CID 84818069

IUPAC3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide
SMILESCNC(=O)C1SCCN1Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2OS/c1-14-11(16)12-15(6-7-17-12)8-9-2-4-10(13)5-3-9/h2-5,12H,6-8H2,1H3,(H,14,16)
InChIKeyWKWPHDDLSGLZPF-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.07
Rot. Bonds3

About 3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide

3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide (PubChem CID 84818069) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide
PubChem CID84818069
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide
SMILESCNC(=O)C1SCCN1Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2OS/c1-14-11(16)12-15(6-7-17-12)8-9-2-4-10(13)5-3-9/h2-5,12H,6-8H2,1H3,(H,14,16)
InChIKeyWKWPHDDLSGLZPF-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide?
The IUPAC name of 3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide (CID 84818069) is 3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide is CNC(=O)C1SCCN1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide?
The InChIKey is WKWPHDDLSGLZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-14-11(16)12-15(6-7-17-12)8-9-2-4-10(13)5-3-9/h2-5,12H,6-8H2,1H3,(H,14,16).
What are the key properties of 3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide?
3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 84818069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).