N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C11H8FN5S — CID 42646211

IUPACN-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESFc1cccc(Nc2nc(-c3cn[nH]c3)cs2)n1
InChIInChI=1S/C11H8FN5S/c12-9-2-1-3-10(16-9)17-11-15-8(6-18-11)7-4-13-14-5-7/h1-6H,(H,13,14)(H,15,16,17)
InChIKeyBCPCCABEZUKIRP-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.81
Rot. Bonds3

About N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 42646211) has the molecular formula C11H8FN5S and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID42646211
Molecular FormulaC11H8FN5S
Molecular Weight261.29 g/mol
Exact Mass261.05
IUPAC NameN-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESFc1cccc(Nc2nc(-c3cn[nH]c3)cs2)n1
InChIInChI=1S/C11H8FN5S/c12-9-2-1-3-10(16-9)17-11-15-8(6-18-11)7-4-13-14-5-7/h1-6H,(H,13,14)(H,15,16,17)
InChIKeyBCPCCABEZUKIRP-UHFFFAOYSA-N
XLogP2.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 42646211) is N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Fc1cccc(Nc2nc(-c3cn[nH]c3)cs2)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is BCPCCABEZUKIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5S/c12-9-2-1-3-10(16-9)17-11-15-8(6-18-11)7-4-13-14-5-7/h1-6H,(H,13,14)(H,15,16,17).
What are the key properties of N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 42646211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).