1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine

C9H12ClN9OS — CID 57265242

IUPAC1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine
SMILESNC(=NC1=NCCS1)NNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C9H12ClN9OS/c10-4-6(12)16-5(11)3(15-4)7(20)18-19-8(13)17-9-14-1-2-21-9/h1-2H2,(H,18,20)(H4,11,12,16)(H3,13,14,17,19)
InChIKeyUUJLCZVOVKUPHJ-UHFFFAOYSA-N
MW329.78 g/mol
LogP-1.05
Rot. Bonds1

About 1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine

1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine (PubChem CID 57265242) has the molecular formula C9H12ClN9OS and a molecular weight of 329.78 g/mol. Its IUPAC name is 1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine
PubChem CID57265242
Molecular FormulaC9H12ClN9OS
Molecular Weight329.78 g/mol
Exact Mass329.06
IUPAC Name1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine
SMILESNC(=NC1=NCCS1)NNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C9H12ClN9OS/c10-4-6(12)16-5(11)3(15-4)7(20)18-19-8(13)17-9-14-1-2-21-9/h1-2H2,(H,18,20)(H4,11,12,16)(H3,13,14,17,19)
InChIKeyUUJLCZVOVKUPHJ-UHFFFAOYSA-N
XLogP-1.05
TPSA169.69 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 5-1.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-6-chloro-N-[(E)-N'-(4,5-dihydro-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboxamide
CID 88732522
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
3,5-diamino-N-[N'-[2-[bis[2-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]ethyl]amino]ethyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 24739919
(1E)-1-[amino-[2-(3,5-diamino-6-chloropyrazine-2-carbonyl)hydrazinyl]methylidene]-2-(3-phenylpropyl)guanidine
CID 57343904
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide;hydrobromide
CID 162336366
3,5-diamino-6-chloro-N-[2-(diaminomethylideneamino)ethyl]pyrazine-2-carboxamide
CID 14406036
3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride
CID 135568542
3,5-diamino-N-[N'-[[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]cyclohexyl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 59468323
3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide
CID 57393343
3,5-diamino-N-[N'-(6-aminohexyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 59714739
3,5-diamino-N-[N'-(9-aminononyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 11575881
3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
CID 137321662

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine?
The IUPAC name of 1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine (CID 57265242) is 1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine is NC(=NC1=NCCS1)NNC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine?
The InChIKey is UUJLCZVOVKUPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN9OS/c10-4-6(12)16-5(11)3(15-4)7(20)18-19-8(13)17-9-14-1-2-21-9/h1-2H2,(H,18,20)(H4,11,12,16)(H3,13,14,17,19).
What are the key properties of 1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine?
1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine has a molecular weight of 329.78 g/mol, XLogP of -1.05, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 57265242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).