(2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone

C21H20N4O2S — CID 59374289

IUPAC(2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone
SMILESCC1SCCN1C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H20N4O2S/c1-15-25(13-14-28-15)21(26)18-5-4-12-23-20(18)27-17-9-7-16(8-10-17)24-19-6-2-3-11-22-19/h2-12,15H,13-14H2,1H3,(H,22,24)
InChIKeyXHDDQRLBRXBUOH-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.55
Rot. Bonds5

About (2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone

(2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone (PubChem CID 59374289) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is (2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone
PubChem CID59374289
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name(2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone
SMILESCC1SCCN1C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H20N4O2S/c1-15-25(13-14-28-15)21(26)18-5-4-12-23-20(18)27-17-9-7-16(8-10-17)24-19-6-2-3-11-22-19/h2-12,15H,13-14H2,1H3,(H,22,24)
InChIKeyXHDDQRLBRXBUOH-UHFFFAOYSA-N
XLogP4.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
The IUPAC name of (2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone (CID 59374289) is (2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone is CC1SCCN1C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of (2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
The InChIKey is XHDDQRLBRXBUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15-25(13-14-28-15)21(26)18-5-4-12-23-20(18)27-17-9-7-16(8-10-17)24-19-6-2-3-11-22-19/h2-12,15H,13-14H2,1H3,(H,22,24).
What are the key properties of (2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
(2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone has a molecular weight of 392.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazolidin-3-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone is sourced from PubChem (CID 59374289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).