2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide

C10H13N5OS — CID 55102801

IUPAC2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide
SMILESNC(=S)c1nccnc1NCC(=O)NC1CC1
InChIInChI=1S/C10H13N5OS/c11-9(17)8-10(13-4-3-12-8)14-5-7(16)15-6-1-2-6/h3-4,6H,1-2,5H2,(H2,11,17)(H,13,14)(H,15,16)
InChIKeyPXLJQIDNEPZWMS-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.20
Rot. Bonds5

About 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide

2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide (PubChem CID 55102801) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide
PubChem CID55102801
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide
SMILESNC(=S)c1nccnc1NCC(=O)NC1CC1
InChIInChI=1S/C10H13N5OS/c11-9(17)8-10(13-4-3-12-8)14-5-7(16)15-6-1-2-6/h3-4,6H,1-2,5H2,(H2,11,17)(H,13,14)(H,15,16)
InChIKeyPXLJQIDNEPZWMS-UHFFFAOYSA-N
XLogP-0.20
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
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 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide (CID 55102801) is 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide is NC(=S)c1nccnc1NCC(=O)NC1CC1.
What is the InChIKey of 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide?
The InChIKey is PXLJQIDNEPZWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c11-9(17)8-10(13-4-3-12-8)14-5-7(16)15-6-1-2-6/h3-4,6H,1-2,5H2,(H2,11,17)(H,13,14)(H,15,16).
What are the key properties of 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide?
2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide has a molecular weight of 251.31 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 55102801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).