5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide

C14H23N5OS — CID 3001379

IUPAC5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide
SMILESCCCCN(CCCC)c1nc(C(N)=S)cnc1C(N)=O
InChIInChI=1S/C14H23N5OS/c1-3-5-7-19(8-6-4-2)14-11(12(15)20)17-9-10(18-14)13(16)21/h9H,3-8H2,1-2H3,(H2,15,20)(H2,16,21)
InChIKeyMXBPOHYRHNQJAV-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.62
Rot. Bonds9

About 5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide

5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide (PubChem CID 3001379) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide
PubChem CID3001379
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide
SMILESCCCCN(CCCC)c1nc(C(N)=S)cnc1C(N)=O
InChIInChI=1S/C14H23N5OS/c1-3-5-7-19(8-6-4-2)14-11(12(15)20)17-9-10(18-14)13(16)21/h9H,3-8H2,1-2H3,(H2,15,20)(H2,16,21)
InChIKeyMXBPOHYRHNQJAV-UHFFFAOYSA-N
XLogP1.62
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4(1H)-Pteridinone, 2-amino-6-methyl-
CID 135416532
Aminopyrazine carboxamide
CID 280292
2-(Ethylsulfanyl)pteridin-4(1h)-one
CID 135518616
6-methyl-2-pivaloylamino-4(3H)-pteridinone
CID 135423678
2-amino-6-hex-1-ynyl-3H-pteridin-4-one
CID 135925131
3-Methyl-2-(methylamino)pteridin-4-one
CID 127048051
3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
CID 57394424
7-Methylpterin
CID 135431315
Dimethylpterin
CID 135443570
3-Amino-N-methylpyrazine-2-carboxamide
CID 10820748
2-amino-N-methyl-4-oxo-3H-pteridine-7-carboxamide
CID 136025899
6-(Octylamino)pyrazine-2-carboxamide
CID 76321163

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide (CID 3001379) is 5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide is CCCCN(CCCC)c1nc(C(N)=S)cnc1C(N)=O.
What is the InChIKey of 5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide?
The InChIKey is MXBPOHYRHNQJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-3-5-7-19(8-6-4-2)14-11(12(15)20)17-9-10(18-14)13(16)21/h9H,3-8H2,1-2H3,(H2,15,20)(H2,16,21).
What are the key properties of 5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide?
5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 3001379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).