[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone

C20H20N4O2S2 — CID 20635284

IUPAC[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O2S2/c1-14-5-6-15(12-16(14)19(25)24-8-10-26-11-9-24)27-18-13-22-20(28-18)23-17-4-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3,(H,21,22,23)
InChIKeyCHEVXYGVUILTTD-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.21
Rot. Bonds5

About [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone

[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 20635284) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone
PubChem CID20635284
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC Name[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O2S2/c1-14-5-6-15(12-16(14)19(25)24-8-10-26-11-9-24)27-18-13-22-20(28-18)23-17-4-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3,(H,21,22,23)
InChIKeyCHEVXYGVUILTTD-UHFFFAOYSA-N
XLogP4.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone (CID 20635284) is [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone is Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCOCC1.
What is the InChIKey of [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is CHEVXYGVUILTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-14-5-6-15(12-16(14)19(25)24-8-10-26-11-9-24)27-18-13-22-20(28-18)23-17-4-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3,(H,21,22,23).
What are the key properties of [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone?
[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 412.54 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 20635284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).