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

C12H16N2O2S — CID 24698551

IUPACN-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CSCN1
InChIInChI=1S/C12H16N2O2S/c1-16-11-5-3-2-4-9(11)6-13-12(15)10-7-17-8-14-10/h2-5,10,14H,6-8H2,1H3,(H,13,15)
InChIKeyVBMVPJZXBKCDFQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.97
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 24698551) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID24698551
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CSCN1
InChIInChI=1S/C12H16N2O2S/c1-16-11-5-3-2-4-9(11)6-13-12(15)10-7-17-8-14-10/h2-5,10,14H,6-8H2,1H3,(H,13,15)
InChIKeyVBMVPJZXBKCDFQ-UHFFFAOYSA-N
XLogP0.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281335
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 61254584
(4R)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124595922
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[[2-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119320233
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119334399
N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119852337

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 24698551) is N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide is COc1ccccc1CNC(=O)C1CSCN1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is VBMVPJZXBKCDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-16-11-5-3-2-4-9(11)6-13-12(15)10-7-17-8-14-10/h2-5,10,14H,6-8H2,1H3,(H,13,15).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 24698551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).