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

C12H15BrN2OS — CID 93367241

IUPAC(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)[C@H]1CSCN1
InChIInChI=1S/C12H15BrN2OS/c1-15(12(16)11-7-17-8-14-11)6-9-4-2-3-5-10(9)13/h2-5,11,14H,6-8H2,1H3/t11-/m1/s1
InChIKeySGOFCBVISWRDHQ-LLVKDONJSA-N
MW315.24 g/mol
LogP2.07
Rot. Bonds3

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

(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 93367241) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is (4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID93367241
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)[C@H]1CSCN1
InChIInChI=1S/C12H15BrN2OS/c1-15(12(16)11-7-17-8-14-11)6-9-4-2-3-5-10(9)13/h2-5,11,14H,6-8H2,1H3/t11-/m1/s1
InChIKeySGOFCBVISWRDHQ-LLVKDONJSA-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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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 43579156
N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266862
N-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54869067
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60938155
(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 124588399
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119273983
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54871505
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 60944866
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294184
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110663570

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide (CID 93367241) is (4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide is CN(Cc1ccccc1Br)C(=O)[C@H]1CSCN1.
What is the InChIKey of (4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is SGOFCBVISWRDHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-15(12(16)11-7-17-8-14-11)6-9-4-2-3-5-10(9)13/h2-5,11,14H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of (4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-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 (4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 93367241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).