(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide

C16H15F4N3O3S — CID 9076206

IUPAC(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide
SMILESC[C@@](O)(CC(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1)C(F)(F)F
InChIInChI=1S/C16H15F4N3O3S/c1-15(26,16(18,19)20)7-13(25)23-22-12(24)6-11-8-27-14(21-11)9-2-4-10(17)5-3-9/h2-5,8,26H,6-7H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyOJSBLPZUJPKHKK-OAHLLOKOSA-N
MW405.37 g/mol
LogP2.34
Rot. Bonds5

About (3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide

(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide (PubChem CID 9076206) has the molecular formula C16H15F4N3O3S and a molecular weight of 405.37 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide
PubChem CID9076206
Molecular FormulaC16H15F4N3O3S
Molecular Weight405.37 g/mol
Exact Mass405.08
IUPAC Name(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide
SMILESC[C@@](O)(CC(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1)C(F)(F)F
InChIInChI=1S/C16H15F4N3O3S/c1-15(26,16(18,19)20)7-13(25)23-22-12(24)6-11-8-27-14(21-11)9-2-4-10(17)5-3-9/h2-5,8,26H,6-7H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyOJSBLPZUJPKHKK-OAHLLOKOSA-N
XLogP2.34
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]acetohydrazide
CID 9076369
1-(4-fluorophenyl)-3-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8560600
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 78823652
1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea
CID 86835778
(2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide
CID 9076071
2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide
CID 9076340
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 8882089
N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9076127
1-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8560638
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8572766

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide?
The IUPAC name of (3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide (CID 9076206) is (3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide.
What is the SMILES notation for (3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide?
The canonical SMILES for (3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide is C[C@@](O)(CC(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1)C(F)(F)F.
What is the InChIKey of (3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide?
The InChIKey is OJSBLPZUJPKHKK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15F4N3O3S/c1-15(26,16(18,19)20)7-13(25)23-22-12(24)6-11-8-27-14(21-11)9-2-4-10(17)5-3-9/h2-5,8,26H,6-7H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1.
What are the key properties of (3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide?
(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide has a molecular weight of 405.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide is sourced from PubChem (CID 9076206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).