3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide

C12H14FN5OS — CID 105388401

IUPAC3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCc1csc(C(C)NC(=O)c2ccnc(NN)c2F)n1
InChIInChI=1S/C12H14FN5OS/c1-6-5-20-12(16-6)7(2)17-11(19)8-3-4-15-10(18-14)9(8)13/h3-5,7H,14H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyQRAPCQIQSBVIEC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.76
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide

3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 105388401) has the molecular formula C12H14FN5OS and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID105388401
Molecular FormulaC12H14FN5OS
Molecular Weight295.34 g/mol
Exact Mass295.09
IUPAC Name3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCc1csc(C(C)NC(=O)c2ccnc(NN)c2F)n1
InChIInChI=1S/C12H14FN5OS/c1-6-5-20-12(16-6)7(2)17-11(19)8-3-4-15-10(18-14)9(8)13/h3-5,7H,14H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyQRAPCQIQSBVIEC-UHFFFAOYSA-N
XLogP1.76
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (CID 105388401) is 3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is Cc1csc(C(C)NC(=O)c2ccnc(NN)c2F)n1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is QRAPCQIQSBVIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5OS/c1-6-5-20-12(16-6)7(2)17-11(19)8-3-4-15-10(18-14)9(8)13/h3-5,7H,14H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105388401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).