N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide

C8H9FN4S — CID 87082693

IUPACN'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide
SMILESC/C(=N\C#N)N(C)Cc1cnc(F)s1
InChIInChI=1S/C8H9FN4S/c1-6(12-5-10)13(2)4-7-3-11-8(9)14-7/h3H,4H2,1-2H3/b12-6+
InChIKeyBMALSFCZTFWRGZ-WUXMJOGZSA-N
MW212.25 g/mol
LogP1.61
Rot. Bonds2

About N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide

N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide (PubChem CID 87082693) has the molecular formula C8H9FN4S and a molecular weight of 212.25 g/mol. Its IUPAC name is N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide.

Molecular Properties

Compound NameN'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide
PubChem CID87082693
Molecular FormulaC8H9FN4S
Molecular Weight212.25 g/mol
Exact Mass212.05
IUPAC NameN'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide
SMILESC/C(=N\C#N)N(C)Cc1cnc(F)s1
InChIInChI=1S/C8H9FN4S/c1-6(12-5-10)13(2)4-7-3-11-8(9)14-7/h3H,4H2,1-2H3/b12-6+
InChIKeyBMALSFCZTFWRGZ-WUXMJOGZSA-N
XLogP1.61
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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 N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide?
The IUPAC name of N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide (CID 87082693) is N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide.
What is the SMILES notation for N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide?
The canonical SMILES for N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide is C/C(=N\C#N)N(C)Cc1cnc(F)s1.
What is the InChIKey of N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide?
The InChIKey is BMALSFCZTFWRGZ-WUXMJOGZSA-N. The full InChI is InChI=1S/C8H9FN4S/c1-6(12-5-10)13(2)4-7-3-11-8(9)14-7/h3H,4H2,1-2H3/b12-6+.
What are the key properties of N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide?
N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide has a molecular weight of 212.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide is sourced from PubChem (CID 87082693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).