5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide

C13H20N4S — CID 106010221

IUPAC5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide
SMILESNC(=S)c1cnc(NCCCC2CCCC2)cn1
InChIInChI=1S/C13H20N4S/c14-13(18)11-8-17-12(9-16-11)15-7-3-6-10-4-1-2-5-10/h8-10H,1-7H2,(H2,14,18)(H,15,17)
InChIKeyVZNCWQIZFQDNRS-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.49
Rot. Bonds6

About 5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide

5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide (PubChem CID 106010221) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide
PubChem CID106010221
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide
SMILESNC(=S)c1cnc(NCCCC2CCCC2)cn1
InChIInChI=1S/C13H20N4S/c14-13(18)11-8-17-12(9-16-11)15-7-3-6-10-4-1-2-5-10/h8-10H,1-7H2,(H2,14,18)(H,15,17)
InChIKeyVZNCWQIZFQDNRS-UHFFFAOYSA-N
XLogP2.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide
CID 106010222
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853
ethyl 4-[(5-carbamothioylpyrazin-2-yl)amino]butanoate
CID 64574857
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667
3-[(5-carbamothioylpyrazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113410633
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide
CID 80681946
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
4-(3-cyclopentylpropylamino)-3,5-difluorobenzenecarbothioamide
CID 106010280
N-(3-cyclopropylpropyl)pyrazin-2-amine
CID 115637555

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide?
The IUPAC name of 5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide (CID 106010221) is 5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide.
What is the SMILES notation for 5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide?
The canonical SMILES for 5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide is NC(=S)c1cnc(NCCCC2CCCC2)cn1.
What is the InChIKey of 5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide?
The InChIKey is VZNCWQIZFQDNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c14-13(18)11-8-17-12(9-16-11)15-7-3-6-10-4-1-2-5-10/h8-10H,1-7H2,(H2,14,18)(H,15,17).
What are the key properties of 5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide?
5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide has a molecular weight of 264.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide is sourced from PubChem (CID 106010221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).