4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide

C19H18FN3O2S — CID 19785553

IUPAC4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)c(C(=O)NO)s1
InChIInChI=1S/C19H18FN3O2S/c1-11(16-17(18(24)23-25)26-19(21-2)22-16)13-8-9-14(15(20)10-13)12-6-4-3-5-7-12/h3-11,25H,1-2H3,(H,21,22)(H,23,24)
InChIKeyPGCRKHPMATWPAE-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.26
Rot. Bonds5

About 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide

4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 19785553) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID19785553
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)c(C(=O)NO)s1
InChIInChI=1S/C19H18FN3O2S/c1-11(16-17(18(24)23-25)26-19(21-2)22-16)13-8-9-14(15(20)10-13)12-6-4-3-5-7-12/h3-11,25H,1-2H3,(H,21,22)(H,23,24)
InChIKeyPGCRKHPMATWPAE-UHFFFAOYSA-N
XLogP4.26
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 19785553) is 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)c(C(=O)NO)s1.
What is the InChIKey of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is PGCRKHPMATWPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-11(16-17(18(24)23-25)26-19(21-2)22-16)13-8-9-14(15(20)10-13)12-6-4-3-5-7-12/h3-11,25H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-hydroxy-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 19785553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).