2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine

C6H6N6S — CID 177404121

IUPAC2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine
SMILESNc1cnc(/N=N/c2ncc[nH]2)s1
InChIInChI=1S/C6H6N6S/c7-4-3-10-6(13-4)12-11-5-8-1-2-9-5/h1-3H,7H2,(H,8,9)/b12-11+
InChIKeyBYVOGUFFWTUGCI-VAWYXSNFSA-N
MW194.22 g/mol
LogP1.86
Rot. Bonds2

About 2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine

2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine (PubChem CID 177404121) has the molecular formula C6H6N6S and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine
PubChem CID177404121
Molecular FormulaC6H6N6S
Molecular Weight194.22 g/mol
Exact Mass194.04
IUPAC Name2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine
SMILESNc1cnc(/N=N/c2ncc[nH]2)s1
InChIInChI=1S/C6H6N6S/c7-4-3-10-6(13-4)12-11-5-8-1-2-9-5/h1-3H,7H2,(H,8,9)/b12-11+
InChIKeyBYVOGUFFWTUGCI-VAWYXSNFSA-N
XLogP1.86
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

bis(1H-imidazol-2-yl)diazene;hydrochloride
CID 141477390
N'-(1H-imidazol-2-yl)ethanimidamide
CID 142107184
2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
CID 102769078
2-(113C)methyl-1,3-thiazol-5-amine
CID 132647797
5-(1H-imidazol-2-yl)thiophen-2-amine
CID 130738865
N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide
CID 54387791
bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride
CID 174665696
1H-imidazol-2-amine;4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine;2-propylpyrazol-3-amine
CID 160647908
2-methylsulfanyl-1,3-thiazol-5-amine
CID 13248905
boric acid;1H-imidazol-2-amine
CID 174688590
2-(1H-imidazol-2-yl)-1-phenylguanidine
CID 91182432
2-azido-1H-imidazole;perchloric acid
CID 71416997

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine?
The IUPAC name of 2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine (CID 177404121) is 2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine is Nc1cnc(/N=N/c2ncc[nH]2)s1.
What is the InChIKey of 2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine?
The InChIKey is BYVOGUFFWTUGCI-VAWYXSNFSA-N. The full InChI is InChI=1S/C6H6N6S/c7-4-3-10-6(13-4)12-11-5-8-1-2-9-5/h1-3H,7H2,(H,8,9)/b12-11+.
What are the key properties of 2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine?
2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine has a molecular weight of 194.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1H-imidazol-2-yldiazenyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 177404121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).