ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine

C9H10N4S — CID 144794204

IUPACethene;5-pyridazin-3-yl-1,3-thiazol-2-amine
SMILESC=C.Nc1ncc(-c2cccnn2)s1
InChIInChI=1S/C7H6N4S.C2H4/c8-7-9-4-6(12-7)5-2-1-3-10-11-5;1-2/h1-4H,(H2,8,9);1-2H2
InChIKeyHHVYGLFTXPJWOW-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.98
Rot. Bonds1

About ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine

ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine (PubChem CID 144794204) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameethene;5-pyridazin-3-yl-1,3-thiazol-2-amine
PubChem CID144794204
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Nameethene;5-pyridazin-3-yl-1,3-thiazol-2-amine
SMILESC=C.Nc1ncc(-c2cccnn2)s1
InChIInChI=1S/C7H6N4S.C2H4/c8-7-9-4-6(12-7)5-2-1-3-10-11-5;1-2/h1-4H,(H2,8,9);1-2H2
InChIKeyHHVYGLFTXPJWOW-UHFFFAOYSA-N
XLogP1.98
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine
CID 119085384
5-(6-aminopyrazin-2-yl)-1,3-thiazol-2-amine
CID 119006350
ethane;5-phenyl-1,3-thiazol-2-amine
CID 142092018
5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 131701578
5-(1H-pyrrol-2-yl)-1,3-thiazol-2-amine
CID 103341544
5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine
CID 141465288
5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine
CID 164893855
5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-amine
CID 83301136
3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine
CID 6417966
ethane;pyridazin-3-amine
CID 123792295
5-naphthalen-1-yl-1,3-thiazol-2-amine
CID 17015170
5-(2-methoxy-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 130571395

Frequently Asked Questions

What is the IUPAC name of ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine (CID 144794204) is ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine is C=C.Nc1ncc(-c2cccnn2)s1.
What is the InChIKey of ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine?
The InChIKey is HHVYGLFTXPJWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S.C2H4/c8-7-9-4-6(12-7)5-2-1-3-10-11-5;1-2/h1-4H,(H2,8,9);1-2H2.
What are the key properties of ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine?
ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine has a molecular weight of 206.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 144794204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).