[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine

C7H7FN4S — CID 170039489

IUPAC[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-n2cc(F)cn2)s1
InChIInChI=1S/C7H7FN4S/c8-5-2-11-12(4-5)7-10-3-6(1-9)13-7/h2-4H,1,9H2
InChIKeyJILJZTVJONVWNK-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.93
Rot. Bonds2

About [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine

[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 170039489) has the molecular formula C7H7FN4S and a molecular weight of 198.23 g/mol. Its IUPAC name is [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID170039489
Molecular FormulaC7H7FN4S
Molecular Weight198.23 g/mol
Exact Mass198.04
IUPAC Name[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-n2cc(F)cn2)s1
InChIInChI=1S/C7H7FN4S/c8-5-2-11-12(4-5)7-10-3-6(1-9)13-7/h2-4H,1,9H2
InChIKeyJILJZTVJONVWNK-UHFFFAOYSA-N
XLogP0.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine (CID 170039489) is [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(-n2cc(F)cn2)s1.
What is the InChIKey of [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is JILJZTVJONVWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4S/c8-5-2-11-12(4-5)7-10-3-6(1-9)13-7/h2-4H,1,9H2.
What are the key properties of [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine?
[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 198.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 170039489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).