N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine

C15H16N6OS — CID 100668614

IUPACN-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine
SMILESc1ccc2nc(NC[C@H]3CN(c4nncs4)CCO3)cnc2c1
InChIInChI=1S/C15H16N6OS/c1-2-4-13-12(3-1)16-8-14(19-13)17-7-11-9-21(5-6-22-11)15-20-18-10-23-15/h1-4,8,10-11H,5-7,9H2,(H,17,19)/t11-/m0/s1
InChIKeySBKWHDZVVWVXLG-NSHDSACASA-N
MW328.40 g/mol
LogP1.80
Rot. Bonds4

About N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine

N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine (PubChem CID 100668614) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine
PubChem CID100668614
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC NameN-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine
SMILESc1ccc2nc(NC[C@H]3CN(c4nncs4)CCO3)cnc2c1
InChIInChI=1S/C15H16N6OS/c1-2-4-13-12(3-1)16-8-14(19-13)17-7-11-9-21(5-6-22-11)15-20-18-10-23-15/h1-4,8,10-11H,5-7,9H2,(H,17,19)/t11-/m0/s1
InChIKeySBKWHDZVVWVXLG-NSHDSACASA-N
XLogP1.80
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257
N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324
N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine
CID 47292946
[4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methanamine;dihydrochloride
CID 86811680
1-phenyl-6-[[(2R)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136890813
N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62351550
[4-(1,3,4-thiadiazol-2-yl)-1,4-oxazepan-2-yl]methanamine
CID 130640806
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinoxalin-2-amine
CID 63898211
N-[(2-aminocyclohexyl)methyl]quinoxalin-2-amine
CID 64926894
[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]methanol
CID 79839156
6-[(4-methylmorpholin-2-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343069
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine?
The IUPAC name of N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine (CID 100668614) is N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine is c1ccc2nc(NC[C@H]3CN(c4nncs4)CCO3)cnc2c1.
What is the InChIKey of N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine?
The InChIKey is SBKWHDZVVWVXLG-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N6OS/c1-2-4-13-12(3-1)16-8-14(19-13)17-7-11-9-21(5-6-22-11)15-20-18-10-23-15/h1-4,8,10-11H,5-7,9H2,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine?
N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine has a molecular weight of 328.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 100668614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).