N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

C15H22N2O3S — CID 110795767

IUPACN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(CCNC(=O)C2CSCN2)c(OC)cc1C
InChIInChI=1S/C15H22N2O3S/c1-10-6-14(20-3)11(7-13(10)19-2)4-5-16-15(18)12-8-21-9-17-12/h6-7,12,17H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyMXXFWTMSBVRBBW-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.33
Rot. Bonds6

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

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110795767) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110795767
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(CCNC(=O)C2CSCN2)c(OC)cc1C
InChIInChI=1S/C15H22N2O3S/c1-10-6-14(20-3)11(7-13(10)19-2)4-5-16-15(18)12-8-21-9-17-12/h6-7,12,17H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyMXXFWTMSBVRBBW-UHFFFAOYSA-N
XLogP1.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795136
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795340
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795893
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
N-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795275
N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119341073
N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795242
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789647
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 110795767) is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is COc1cc(CCNC(=O)C2CSCN2)c(OC)cc1C.
What is the InChIKey of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is MXXFWTMSBVRBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-6-14(20-3)11(7-13(10)19-2)4-5-16-15(18)12-8-21-9-17-12/h6-7,12,17H,4-5,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110795767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).