N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide

C19H23FN6OS2 — CID 162757464

IUPACN-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCc1nc(CNC(=O)C(C)(C)C)sc1-c1csc(-c2cc(N)c(NN)c(F)c2)n1
InChIInChI=1S/C19H23FN6OS2/c1-9-16(29-14(24-9)7-23-18(27)19(2,3)4)13-8-28-17(25-13)10-5-11(20)15(26-22)12(21)6-10/h5-6,8,26H,7,21-22H2,1-4H3,(H,23,27)
InChIKeyOQLBQACMMAKSKD-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.91
Rot. Bonds5

About N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide

N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 162757464) has the molecular formula C19H23FN6OS2 and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide
PubChem CID162757464
Molecular FormulaC19H23FN6OS2
Molecular Weight434.57 g/mol
Exact Mass434.14
IUPAC NameN-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCc1nc(CNC(=O)C(C)(C)C)sc1-c1csc(-c2cc(N)c(NN)c(F)c2)n1
InChIInChI=1S/C19H23FN6OS2/c1-9-16(29-14(24-9)7-23-18(27)19(2,3)4)13-8-28-17(25-13)10-5-11(20)15(26-22)12(21)6-10/h5-6,8,26H,7,21-22H2,1-4H3,(H,23,27)
InChIKeyOQLBQACMMAKSKD-UHFFFAOYSA-N
XLogP3.91
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide (CID 162757464) is N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide is Cc1nc(CNC(=O)C(C)(C)C)sc1-c1csc(-c2cc(N)c(NN)c(F)c2)n1.
What is the InChIKey of N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is OQLBQACMMAKSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6OS2/c1-9-16(29-14(24-9)7-23-18(27)19(2,3)4)13-8-28-17(25-13)10-5-11(20)15(26-22)12(21)6-10/h5-6,8,26H,7,21-22H2,1-4H3,(H,23,27).
What are the key properties of N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide?
N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 434.57 g/mol, XLogP of 3.91, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 162757464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).