N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide

C15H18N4OS — CID 2215747

IUPACN-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide
SMILESCc1nc2ccc(NC(=S)N3CCOCC3)cc2nc1C
InChIInChI=1S/C15H18N4OS/c1-10-11(2)17-14-9-12(3-4-13(14)16-10)18-15(21)19-5-7-20-8-6-19/h3-4,9H,5-8H2,1-2H3,(H,18,21)
InChIKeyUAAYKOSAEJDYJW-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.28
Rot. Bonds1

About N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide

N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide (PubChem CID 2215747) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide
PubChem CID2215747
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide
SMILESCc1nc2ccc(NC(=S)N3CCOCC3)cc2nc1C
InChIInChI=1S/C15H18N4OS/c1-10-11(2)17-14-9-12(3-4-13(14)16-10)18-15(21)19-5-7-20-8-6-19/h3-4,9H,5-8H2,1-2H3,(H,18,21)
InChIKeyUAAYKOSAEJDYJW-UHFFFAOYSA-N
XLogP2.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate
CID 1072891
N-(2,3-dimethyl-6-quinoxalinyl)-1-pyrrolidinecarbothioamide
CID 797642
1-Cyclohexyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea
CID 798121
Morpholin-4-yl(quinoxalin-6-ylamino)methane-1-thione
CID 798107
1-(2,3-Dimethyl-quinoxalin-6-yl)-3-isopropyl-thiourea
CID 798117
1-Cyclopropyl-3-(2,3-dimethyl-quinoxalin-6-yl)-thiourea
CID 798123
1-(2,3-Dimethylquinoxalin-6-yl)-3-methylthiourea
CID 1473019
1-(2,3-Dimethyl-6-quinoxalinyl)-3-(3-hydroxypropyl)thiourea
CID 2191501
N-(2,3-dimethyl-6-quinoxalinyl)-4-morpholinecarboxamide
CID 778292
N-benzyl-N'-(2,3-dimethyl-6-quinoxalinyl)thiourea
CID 972554
N-(3-hydroxypropyl)-N'-6-quinoxalinylthiourea
CID 2191601
N-(2,3-dimethyl-6-quinoxalinyl)-4-methyl-1-piperidinecarbothioamide
CID 797648

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide?
The IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide (CID 2215747) is N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide is Cc1nc2ccc(NC(=S)N3CCOCC3)cc2nc1C.
What is the InChIKey of N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide?
The InChIKey is UAAYKOSAEJDYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-11(2)17-14-9-12(3-4-13(14)16-10)18-15(21)19-5-7-20-8-6-19/h3-4,9H,5-8H2,1-2H3,(H,18,21).
What are the key properties of N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide?
N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide has a molecular weight of 302.40 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylquinoxalin-6-yl)morpholine-4-carbothioamide is sourced from PubChem (CID 2215747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).