2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine

C10H13N5S — CID 15729211

IUPAC2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine
SMILESCc1cc(-c2nc(N=C(N)N)sc2C)c[nH]1
InChIInChI=1S/C10H13N5S/c1-5-3-7(4-13-5)8-6(2)16-10(14-8)15-9(11)12/h3-4,13H,1-2H3,(H4,11,12,14,15)
InChIKeyUWACBLBZOMPUDG-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.66
Rot. Bonds2

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

2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 15729211) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID15729211
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine
SMILESCc1cc(-c2nc(N=C(N)N)sc2C)c[nH]1
InChIInChI=1S/C10H13N5S/c1-5-3-7(4-13-5)8-6(2)16-10(14-8)15-9(11)12/h3-4,13H,1-2H3,(H4,11,12,14,15)
InChIKeyUWACBLBZOMPUDG-UHFFFAOYSA-N
XLogP1.66
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine (CID 15729211) is 2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine is Cc1cc(-c2nc(N=C(N)N)sc2C)c[nH]1.
What is the InChIKey of 2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is UWACBLBZOMPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-5-3-7(4-13-5)8-6(2)16-10(14-8)15-9(11)12/h3-4,13H,1-2H3,(H4,11,12,14,15).
What are the key properties of 2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine?
2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 235.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 15729211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).