(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

C18H20N2O4S — CID 67120512

IUPAC(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2CSC(c3ccncc3)N2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O4S/c1-22-14-8-12(9-15(23-2)17(14)24-3)16(21)13-10-25-18(20-13)11-4-6-19-7-5-11/h4-9,13,18,20H,10H2,1-3H3
InChIKeyBBWABAPKNUQESK-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.69
Rot. Bonds6

About (2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 67120512) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID67120512
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2CSC(c3ccncc3)N2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O4S/c1-22-14-8-12(9-15(23-2)17(14)24-3)16(21)13-10-25-18(20-13)11-4-6-19-7-5-11/h4-9,13,18,20H,10H2,1-3H3
InChIKeyBBWABAPKNUQESK-UHFFFAOYSA-N
XLogP2.69
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 19894108
(4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone
CID 69035805
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
(2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 67120468
methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate
CID 67120545
methyl 2-phenyl-1,3-thiazolidine-4-carboxylate
CID 14790914
2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 4859673
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
[2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69035895
(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 61147260
2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 19576217
(2R,4R)-2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044855

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 67120512) is (2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)C2CSC(c3ccncc3)N2)cc(OC)c1OC.
What is the InChIKey of (2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BBWABAPKNUQESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-22-14-8-12(9-15(23-2)17(14)24-3)16(21)13-10-25-18(20-13)11-4-6-19-7-5-11/h4-9,13,18,20H,10H2,1-3H3.
What are the key properties of (2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 360.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 67120512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).