3-[methyl(pentyl)amino]pyrazine-2-carbothioamide

C11H18N4S — CID 62683933

IUPAC3-[methyl(pentyl)amino]pyrazine-2-carbothioamide
SMILESCCCCCN(C)c1nccnc1C(N)=S
InChIInChI=1S/C11H18N4S/c1-3-4-5-8-15(2)11-9(10(12)16)13-6-7-14-11/h6-7H,3-5,8H2,1-2H3,(H2,12,16)
InChIKeyCXMZPBHYCCWQCX-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.74
Rot. Bonds6

About 3-[methyl(pentyl)amino]pyrazine-2-carbothioamide

3-[methyl(pentyl)amino]pyrazine-2-carbothioamide (PubChem CID 62683933) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-[methyl(pentyl)amino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[methyl(pentyl)amino]pyrazine-2-carbothioamide
PubChem CID62683933
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name3-[methyl(pentyl)amino]pyrazine-2-carbothioamide
SMILESCCCCCN(C)c1nccnc1C(N)=S
InChIInChI=1S/C11H18N4S/c1-3-4-5-8-15(2)11-9(10(12)16)13-6-7-14-11/h6-7H,3-5,8H2,1-2H3,(H2,12,16)
InChIKeyCXMZPBHYCCWQCX-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
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

3-[butyl(methyl)amino]pyrazine-2-carboximidamide
CID 62684705
3-(dipropylamino)pyrazine-2-carbothioamide
CID 62685111
3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide
CID 63210825
3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide
CID 115319430
ethyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 55103429
2-[(3-carbamothioylpyrazin-2-yl)-methylamino]-N-ethylacetamide
CID 62683608
3-[methyl(2-methylbutan-2-yl)amino]pyrazine-2-carbothioamide
CID 63958916
methyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 62683928
[2-[methyl(pentyl)amino]-3-pyridinyl]methanol
CID 61256458
3-[cyclopropylmethyl(propyl)amino]pyrazine-2-carbothioamide
CID 55103092
3-[5-hydroxypentyl(methyl)amino]pyridazine-4-carbothioamide
CID 107199808
5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
CID 61358598

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentyl)amino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[methyl(pentyl)amino]pyrazine-2-carbothioamide (CID 62683933) is 3-[methyl(pentyl)amino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[methyl(pentyl)amino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[methyl(pentyl)amino]pyrazine-2-carbothioamide is CCCCCN(C)c1nccnc1C(N)=S.
What is the InChIKey of 3-[methyl(pentyl)amino]pyrazine-2-carbothioamide?
The InChIKey is CXMZPBHYCCWQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-3-4-5-8-15(2)11-9(10(12)16)13-6-7-14-11/h6-7H,3-5,8H2,1-2H3,(H2,12,16).
What are the key properties of 3-[methyl(pentyl)amino]pyrazine-2-carbothioamide?
3-[methyl(pentyl)amino]pyrazine-2-carbothioamide has a molecular weight of 238.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentyl)amino]pyrazine-2-carbothioamide is sourced from PubChem (CID 62683933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).