(8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone

C22H22N4O3S — CID 56535769

IUPAC(8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCCOc1cccc2c1OCC(C(=O)N1CCN(c3nc4cccnc4s3)CC1)=C2
InChIInChI=1S/C22H22N4O3S/c1-2-28-18-7-3-5-15-13-16(14-29-19(15)18)21(27)25-9-11-26(12-10-25)22-24-17-6-4-8-23-20(17)30-22/h3-8,13H,2,9-12,14H2,1H3
InChIKeyPITUSQROLDLYIB-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.21
Rot. Bonds4

About (8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone

(8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 56535769) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is (8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID56535769
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name(8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCCOc1cccc2c1OCC(C(=O)N1CCN(c3nc4cccnc4s3)CC1)=C2
InChIInChI=1S/C22H22N4O3S/c1-2-28-18-7-3-5-15-13-16(14-29-19(15)18)21(27)25-9-11-26(12-10-25)22-24-17-6-4-8-23-20(17)30-22/h3-8,13H,2,9-12,14H2,1H3
InChIKeyPITUSQROLDLYIB-UHFFFAOYSA-N
XLogP3.21
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55753079
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(8-ethoxy-2H-chromen-3-yl)methanone
CID 55712924
(4-pyridin-3-yloxyphenyl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535663
(8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731048
ethyl (3S)-3-phenyl-3-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]amino]propanoate
CID 95073065
[4-(2-methoxyethylsulfonyl)phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551678
[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551362
[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551679
[3-(methylsulfonylmethyl)phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535555
ethyl 2-[4-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]amino]phenyl]acetate
CID 53084404
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 7539432
3-(4-fluorophenyl)sulfanyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
CID 56535575

Frequently Asked Questions

What is the IUPAC name of (8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 56535769) is (8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is CCOc1cccc2c1OCC(C(=O)N1CCN(c3nc4cccnc4s3)CC1)=C2.
What is the InChIKey of (8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is PITUSQROLDLYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-2-28-18-7-3-5-15-13-16(14-29-19(15)18)21(27)25-9-11-26(12-10-25)22-24-17-6-4-8-23-20(17)30-22/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of (8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
(8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 422.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56535769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).