N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C11H7ClFN5S — CID 46836728

IUPACN-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESFc1sc(Nc2cccc(Cl)n2)nc1-c1cn[nH]c1
InChIInChI=1S/C11H7ClFN5S/c12-7-2-1-3-8(16-7)17-11-18-9(10(13)19-11)6-4-14-15-5-6/h1-5H,(H,14,15)(H,16,17,18)
InChIKeyPCFGVAIZIFWMIP-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.46
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 46836728) has the molecular formula C11H7ClFN5S and a molecular weight of 295.73 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID46836728
Molecular FormulaC11H7ClFN5S
Molecular Weight295.73 g/mol
Exact Mass295.01
IUPAC NameN-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESFc1sc(Nc2cccc(Cl)n2)nc1-c1cn[nH]c1
InChIInChI=1S/C11H7ClFN5S/c12-7-2-1-3-8(16-7)17-11-18-9(10(13)19-11)6-4-14-15-5-6/h1-5H,(H,14,15)(H,16,17,18)
InChIKeyPCFGVAIZIFWMIP-UHFFFAOYSA-N
XLogP3.46
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.46
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-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 46836728) is N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Fc1sc(Nc2cccc(Cl)n2)nc1-c1cn[nH]c1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is PCFGVAIZIFWMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5S/c12-7-2-1-3-8(16-7)17-11-18-9(10(13)19-11)6-4-14-15-5-6/h1-5H,(H,14,15)(H,16,17,18).
What are the key properties of N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 295.73 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-5-fluoro-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46836728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).