3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide

C13H18N4OS — CID 62939635

IUPAC3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide
SMILESNC(=S)CCN(c1nccn(C2CC2)c1=O)C1CC1
InChIInChI=1S/C13H18N4OS/c14-11(19)5-7-16(9-1-2-9)12-13(18)17(8-6-15-12)10-3-4-10/h6,8-10H,1-5,7H2,(H2,14,19)
InChIKeyCNOKNLUMNVDHST-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.22
Rot. Bonds6

About 3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide

3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide (PubChem CID 62939635) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide
PubChem CID62939635
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide
SMILESNC(=S)CCN(c1nccn(C2CC2)c1=O)C1CC1
InChIInChI=1S/C13H18N4OS/c14-11(19)5-7-16(9-1-2-9)12-13(18)17(8-6-15-12)10-3-4-10/h6,8-10H,1-5,7H2,(H2,14,19)
InChIKeyCNOKNLUMNVDHST-UHFFFAOYSA-N
XLogP1.22
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide?
The IUPAC name of 3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide (CID 62939635) is 3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide.
What is the SMILES notation for 3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide?
The canonical SMILES for 3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide is NC(=S)CCN(c1nccn(C2CC2)c1=O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide?
The InChIKey is CNOKNLUMNVDHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c14-11(19)5-7-16(9-1-2-9)12-13(18)17(8-6-15-12)10-3-4-10/h6,8-10H,1-5,7H2,(H2,14,19).
What are the key properties of 3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide?
3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide has a molecular weight of 278.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanethioamide is sourced from PubChem (CID 62939635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).