N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C18H26N2O3S — CID 5082460

IUPACN-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(C2SCCN2C(=O)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C18H26N2O3S/c1-22-14-8-9-15(16(12-14)23-2)17-20(10-11-24-17)18(21)19-13-6-4-3-5-7-13/h8-9,12-13,17H,3-7,10-11H2,1-2H3,(H,19,21)
InChIKeyDUFWRZOSPGZXLQ-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.79
Rot. Bonds4

About N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 5082460) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID5082460
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(C2SCCN2C(=O)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C18H26N2O3S/c1-22-14-8-9-15(16(12-14)23-2)17-20(10-11-24-17)18(21)19-13-6-4-3-5-7-13/h8-9,12-13,17H,3-7,10-11H2,1-2H3,(H,19,21)
InChIKeyDUFWRZOSPGZXLQ-UHFFFAOYSA-N
XLogP3.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7225995
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 7413566
1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7361597
(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025273
(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482183
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
(2S)-2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 7414110

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 5082460) is N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccc(C2SCCN2C(=O)NC2CCCCC2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is DUFWRZOSPGZXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-22-14-8-9-15(16(12-14)23-2)17-20(10-11-24-17)18(21)19-13-6-4-3-5-7-13/h8-9,12-13,17H,3-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 5082460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).