5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole

C19H16N4OS — CID 123750915

IUPAC5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole
SMILESC(=C1CCCc2ncc(-c3cnc(-c4cccnc4)s3)nc21)C1CO1
InChIInChI=1S/C19H16N4OS/c1-3-12(7-14-11-24-14)18-15(5-1)21-9-16(23-18)17-10-22-19(25-17)13-4-2-6-20-8-13/h2,4,6-10,14H,1,3,5,11H2
InChIKeyAXOJQQXULCHJQJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.78
Rot. Bonds3

About 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole

5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole (PubChem CID 123750915) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole
PubChem CID123750915
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole
SMILESC(=C1CCCc2ncc(-c3cnc(-c4cccnc4)s3)nc21)C1CO1
InChIInChI=1S/C19H16N4OS/c1-3-12(7-14-11-24-14)18-15(5-1)21-9-16(23-18)17-10-22-19(25-17)13-4-2-6-20-8-13/h2,4,6-10,14H,1,3,5,11H2
InChIKeyAXOJQQXULCHJQJ-UHFFFAOYSA-N
XLogP3.78
TPSA64.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

(NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine
CID 136949820
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 71226275
(E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-1,2,4-benzotriazin-5-imine
CID 118081704
4-methyl-5-[(7E)-2-methyl-7-(oxiran-2-ylmethylidene)-6,8,9,10-tetrahydro-1H-1,6-benzodiazocin-5-yl]-2-pyridin-3-yl-1,3-thiazole
CID 123614331
methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123865812
4-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 82422652
(E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine
CID 118081538
5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine
CID 123450393
(E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-imine
CID 118081752
(E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine
CID 77107044
N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 148793923
5-(1-methylpyrazolo[5,4-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole
CID 123365126

Frequently Asked Questions

What is the IUPAC name of 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole (CID 123750915) is 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole is C(=C1CCCc2ncc(-c3cnc(-c4cccnc4)s3)nc21)C1CO1.
What is the InChIKey of 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is AXOJQQXULCHJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-3-12(7-14-11-24-14)18-15(5-1)21-9-16(23-18)17-10-22-19(25-17)13-4-2-6-20-8-13/h2,4,6-10,14H,1,3,5,11H2.
What are the key properties of 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole?
5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 348.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 123750915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).