5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide

C11H14N6S — CID 80681946

IUPAC5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide
SMILESCn1cc(CCNc2cnc(C(N)=S)cn2)cn1
InChIInChI=1S/C11H14N6S/c1-17-7-8(4-16-17)2-3-13-10-6-14-9(5-15-10)11(12)18/h4-7H,2-3H2,1H3,(H2,12,18)(H,13,15)
InChIKeyQUXIWJYFFVYHPG-UHFFFAOYSA-N
MW262.34 g/mol
LogP0.50
Rot. Bonds5

About 5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide

5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide (PubChem CID 80681946) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide
PubChem CID80681946
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide
SMILESCn1cc(CCNc2cnc(C(N)=S)cn2)cn1
InChIInChI=1S/C11H14N6S/c1-17-7-8(4-16-17)2-3-13-10-6-14-9(5-15-10)11(12)18/h4-7H,2-3H2,1H3,(H2,12,18)(H,13,15)
InChIKeyQUXIWJYFFVYHPG-UHFFFAOYSA-N
XLogP0.50
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376316
3-bromo-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzenecarbothioamide
CID 82804186
5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80689197
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
2-bromo-6-[2-(1-methylpyrazol-4-yl)ethylamino]benzenecarbothioamide
CID 114882588
5-chloro-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzenecarbothioamide
CID 80683202
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
N-ethyl-6-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-3-carboxamide
CID 80688877
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109
5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide
CID 106010221
3-[(5-carbamothioylpyrazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113410633
6-(cyclopropylmethoxy)-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 80685641

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide?
The IUPAC name of 5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide (CID 80681946) is 5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide.
What is the SMILES notation for 5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide?
The canonical SMILES for 5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide is Cn1cc(CCNc2cnc(C(N)=S)cn2)cn1.
What is the InChIKey of 5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide?
The InChIKey is QUXIWJYFFVYHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-17-7-8(4-16-17)2-3-13-10-6-14-9(5-15-10)11(12)18/h4-7H,2-3H2,1H3,(H2,12,18)(H,13,15).
What are the key properties of 5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide?
5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide has a molecular weight of 262.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide is sourced from PubChem (CID 80681946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).