N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide

C16H14N4OS — CID 103598498

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCc1ncc(CNC(=O)C=Cc2cnc3ccccc3n2)s1
InChIInChI=1S/C16H14N4OS/c1-11-17-9-13(22-11)10-19-16(21)7-6-12-8-18-14-4-2-3-5-15(14)20-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyOGNKQALDIDQPML-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.72
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 103598498) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID103598498
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCc1ncc(CNC(=O)C=Cc2cnc3ccccc3n2)s1
InChIInChI=1S/C16H14N4OS/c1-11-17-9-13(22-11)10-19-16(21)7-6-12-8-18-14-4-2-3-5-15(14)20-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyOGNKQALDIDQPML-UHFFFAOYSA-N
XLogP2.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
(E)-3-(3-aminophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 115343692
3-[2-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 103598482
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
N-[4-(4-methylphenoxy)butyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884363
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
1-(1,3-benzothiazol-2-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86836959
(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide
CID 75533565
methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate
CID 31541090
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 71985060

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide (CID 103598498) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide is Cc1ncc(CNC(=O)C=Cc2cnc3ccccc3n2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is OGNKQALDIDQPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-11-17-9-13(22-11)10-19-16(21)7-6-12-8-18-14-4-2-3-5-15(14)20-12/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 310.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 103598498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).