N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C13H17ClN2O2S — CID 110793934

IUPACN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C)c(CNC(=O)C2CSCN2)cc1Cl
InChIInChI=1S/C13H17ClN2O2S/c1-8-3-12(18-2)10(14)4-9(8)5-15-13(17)11-6-19-7-16-11/h3-4,11,16H,5-7H2,1-2H3,(H,15,17)
InChIKeyVSLMFKSBVBOTCN-UHFFFAOYSA-N
MW300.81 g/mol
LogP1.94
Rot. Bonds4

About N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110793934) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110793934
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C)c(CNC(=O)C2CSCN2)cc1Cl
InChIInChI=1S/C13H17ClN2O2S/c1-8-3-12(18-2)10(14)4-9(8)5-15-13(17)11-6-19-7-16-11/h3-4,11,16H,5-7H2,1-2H3,(H,15,17)
InChIKeyVSLMFKSBVBOTCN-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-(5-chloro-2-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792775
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795767
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281335
N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263497
N-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793633
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794483
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795136
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 110793934) is N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is COc1cc(C)c(CNC(=O)C2CSCN2)cc1Cl.
What is the InChIKey of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is VSLMFKSBVBOTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-8-3-12(18-2)10(14)4-9(8)5-15-13(17)11-6-19-7-16-11/h3-4,11,16H,5-7H2,1-2H3,(H,15,17).
What are the key properties of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 300.81 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110793934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).