N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

C16H24N2O2S — CID 110795340

IUPACN-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCCOc1cc(C)c(CCNC(=O)C2CSCN2)cc1C
InChIInChI=1S/C16H24N2O2S/c1-4-20-15-8-11(2)13(7-12(15)3)5-6-17-16(19)14-9-21-10-18-14/h7-8,14,18H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyJNJNODOZCJNIOO-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110795340) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110795340
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCCOc1cc(C)c(CCNC(=O)C2CSCN2)cc1C
InChIInChI=1S/C16H24N2O2S/c1-4-20-15-8-11(2)13(7-12(15)3)5-6-17-16(19)14-9-21-10-18-14/h7-8,14,18H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyJNJNODOZCJNIOO-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795767
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119341073
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795136
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795893
N-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795275
N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119295663
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103629888
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 110795340) is N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is CCOc1cc(C)c(CCNC(=O)C2CSCN2)cc1C.
What is the InChIKey of N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is JNJNODOZCJNIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-20-15-8-11(2)13(7-12(15)3)5-6-17-16(19)14-9-21-10-18-14/h7-8,14,18H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110795340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).