5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C14H21N7O2S — CID 123628599

IUPAC5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCC1=NSC(Nc2nc(NC3CCOCC3N)cnc2C(N)=O)C1
InChIInChI=1S/C14H21N7O2S/c1-7-4-11(24-21-7)20-14-12(13(16)22)17-5-10(19-14)18-9-2-3-23-6-8(9)15/h5,8-9,11H,2-4,6,15H2,1H3,(H2,16,22)(H2,18,19,20)
InChIKeyKSXVRJSYTARPPU-UHFFFAOYSA-N
MW351.44 g/mol
LogP0.35
Rot. Bonds5

About 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 123628599) has the molecular formula C14H21N7O2S and a molecular weight of 351.44 g/mol. Its IUPAC name is 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
PubChem CID123628599
Molecular FormulaC14H21N7O2S
Molecular Weight351.44 g/mol
Exact Mass351.15
IUPAC Name5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCC1=NSC(Nc2nc(NC3CCOCC3N)cnc2C(N)=O)C1
InChIInChI=1S/C14H21N7O2S/c1-7-4-11(24-21-7)20-14-12(13(16)22)17-5-10(19-14)18-9-2-3-23-6-8(9)15/h5,8-9,11H,2-4,6,15H2,1H3,(H2,16,22)(H2,18,19,20)
InChIKeyKSXVRJSYTARPPU-UHFFFAOYSA-N
XLogP0.35
TPSA140.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 123628599) is 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is CC1=NSC(Nc2nc(NC3CCOCC3N)cnc2C(N)=O)C1.
What is the InChIKey of 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The InChIKey is KSXVRJSYTARPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2S/c1-7-4-11(24-21-7)20-14-12(13(16)22)17-5-10(19-14)18-9-2-3-23-6-8(9)15/h5,8-9,11H,2-4,6,15H2,1H3,(H2,16,22)(H2,18,19,20).
What are the key properties of 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 123628599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).