2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine

C7H9N7S — CID 13100994

IUPAC2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2cnc(N)[nH]2)cs1
InChIInChI=1S/C7H9N7S/c8-5(9)14-7-13-4(2-15-7)3-1-11-6(10)12-3/h1-2H,(H3,10,11,12)(H4,8,9,13,14)
InChIKeyDJEBAFSBIQCGFA-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.02
Rot. Bonds2

About 2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine

2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 13100994) has the molecular formula C7H9N7S and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID13100994
Molecular FormulaC7H9N7S
Molecular Weight223.27 g/mol
Exact Mass223.06
IUPAC Name2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2cnc(N)[nH]2)cs1
InChIInChI=1S/C7H9N7S/c8-5(9)14-7-13-4(2-15-7)3-1-11-6(10)12-3/h1-2H,(H3,10,11,12)(H4,8,9,13,14)
InChIKeyDJEBAFSBIQCGFA-UHFFFAOYSA-N
XLogP0.02
TPSA131.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.02
H-Bond Donors ≤ 54
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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Related Compounds

Zaltidine
CID 56051
CP-66,948
CID 127772
[2-(1H-Imidazol-4-yl)-ethyl]-thiazol-2-yl-amine
CID 10081340
2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine
CID 13101010
2-(1H-imidazol-5-ylmethyl)-4,5-dimethyl-1,3-thiazole
CID 9990190
4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 10821611
4-ethyl-2-(1H-imidazol-4-yl)-1,3-thiazole
CID 136333896
4-(1-Methylimidazol-4-yl)-1,3-thiazole
CID 117935576
Zaltidine Hydrochloride
CID 13676604
2-[4-(5-cyano-1H-imidazol-2-yl)-1,3-thiazol-2-yl]guanidine
CID 44339704
2-(1H-imidazol-4-yl)-1,3-thiazole
CID 53773131
1-(4-ethyl-1,3-thiazol-2-yl)-N-(1H-imidazol-4-ylmethyl)methanamine
CID 132422951

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine (CID 13100994) is 2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(-c2cnc(N)[nH]2)cs1.
What is the InChIKey of 2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is DJEBAFSBIQCGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7S/c8-5(9)14-7-13-4(2-15-7)3-1-11-6(10)12-3/h1-2H,(H3,10,11,12)(H4,8,9,13,14).
What are the key properties of 2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine?
2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 223.27 g/mol, XLogP of 0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 13100994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).