N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide

C14H20N2O4S — CID 119287192

IUPACN-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(O)CNC(=O)C2CSCN2)c1
InChIInChI=1S/C14H20N2O4S/c1-19-10-3-9(4-11(5-10)20-2)13(17)6-15-14(18)12-7-21-8-16-12/h3-5,12-13,16-17H,6-8H2,1-2H3,(H,15,18)
InChIKeyKWBDTYQSGTUSTH-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.52
Rot. Bonds6

About N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119287192) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119287192
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(O)CNC(=O)C2CSCN2)c1
InChIInChI=1S/C14H20N2O4S/c1-19-10-3-9(4-11(5-10)20-2)13(17)6-15-14(18)12-7-21-8-16-12/h3-5,12-13,16-17H,6-8H2,1-2H3,(H,15,18)
InChIKeyKWBDTYQSGTUSTH-UHFFFAOYSA-N
XLogP0.52
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119328584
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119328583
(4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 124628276
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 119829592
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596361
(4S)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596363
(4R)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124594947
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795767
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride
CID 119287223
N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119316856

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide (CID 119287192) is N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide is COc1cc(OC)cc(C(O)CNC(=O)C2CSCN2)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is KWBDTYQSGTUSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-19-10-3-9(4-11(5-10)20-2)13(17)6-15-14(18)12-7-21-8-16-12/h3-5,12-13,16-17H,6-8H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119287192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).