N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide

C10H11N7S — CID 171715777

IUPACN'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide
SMILESCc1csc(/N=C(N)/N=C(\N)c2cnccn2)n1
InChIInChI=1S/C10H11N7S/c1-6-5-18-10(15-6)17-9(12)16-8(11)7-4-13-2-3-14-7/h2-5H,1H3,(H4,11,12,15,16,17)
InChIKeyPGVNAUNHOXIJTK-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.59
Rot. Bonds2

About N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide

N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide (PubChem CID 171715777) has the molecular formula C10H11N7S and a molecular weight of 261.31 g/mol. Its IUPAC name is N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide
PubChem CID171715777
Molecular FormulaC10H11N7S
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC NameN'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide
SMILESCc1csc(/N=C(N)/N=C(\N)c2cnccn2)n1
InChIInChI=1S/C10H11N7S/c1-6-5-18-10(15-6)17-9(12)16-8(11)7-4-13-2-3-14-7/h2-5H,1H3,(H4,11,12,15,16,17)
InChIKeyPGVNAUNHOXIJTK-UHFFFAOYSA-N
XLogP0.59
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide?
The IUPAC name of N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide (CID 171715777) is N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide is Cc1csc(/N=C(N)/N=C(\N)c2cnccn2)n1.
What is the InChIKey of N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide?
The InChIKey is PGVNAUNHOXIJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7S/c1-6-5-18-10(15-6)17-9(12)16-8(11)7-4-13-2-3-14-7/h2-5H,1H3,(H4,11,12,15,16,17).
What are the key properties of N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide?
N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide has a molecular weight of 261.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide is sourced from PubChem (CID 171715777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).