(NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine

C16H13N5OS — CID 136949820

IUPAC(NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine
SMILESO/N=C1\CCCc2ncc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C16H13N5OS/c22-21-12-5-1-4-11-15(12)20-13(8-18-11)14-9-19-16(23-14)10-3-2-6-17-7-10/h2-3,6-9,22H,1,4-5H2/b21-12+
InChIKeyDPOKVGFEPDKQGG-CIAFOILYSA-N
MW323.38 g/mol
LogP3.18
Rot. Bonds2

About (NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine

(NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine (PubChem CID 136949820) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is (NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine
PubChem CID136949820
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name(NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine
SMILESO/N=C1\CCCc2ncc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C16H13N5OS/c22-21-12-5-1-4-11-15(12)20-13(8-18-11)14-9-19-16(23-14)10-3-2-6-17-7-10/h2-3,6-9,22H,1,4-5H2/b21-12+
InChIKeyDPOKVGFEPDKQGG-CIAFOILYSA-N
XLogP3.18
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[8-(oxiran-2-ylmethylidene)-6,7-dihydro-5H-quinoxalin-2-yl]-2-pyridin-3-yl-1,3-thiazole
CID 123750915
(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
methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123865812
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 71226275
(NZ)-N-(2-phenyl-6,7-dihydro-5H-quinolin-8-ylidene)hydroxylamine
CID 135850728
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)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine
CID 118081538
N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123211049
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
2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975759

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine (CID 136949820) is (NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine is O/N=C1\CCCc2ncc(-c3cnc(-c4cccnc4)s3)nc21.
What is the InChIKey of (NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine?
The InChIKey is DPOKVGFEPDKQGG-CIAFOILYSA-N. The full InChI is InChI=1S/C16H13N5OS/c22-21-12-5-1-4-11-15(12)20-13(8-18-11)14-9-19-16(23-14)10-3-2-6-17-7-10/h2-3,6-9,22H,1,4-5H2/b21-12+.
What are the key properties of (NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine?
(NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine has a molecular weight of 323.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine is sourced from PubChem (CID 136949820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).