2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide

C12H10F3N3O2S — CID 1497723

IUPAC2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide
SMILESCOc1ccc(-c2csc(NNC(=O)C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N3O2S/c1-20-8-4-2-7(3-5-8)9-6-21-11(16-9)18-17-10(19)12(13,14)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyNXUDBGCIEZJVRW-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.82
Rot. Bonds4

About 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide

2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide (PubChem CID 1497723) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide
PubChem CID1497723
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide
SMILESCOc1ccc(-c2csc(NNC(=O)C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N3O2S/c1-20-8-4-2-7(3-5-8)9-6-21-11(16-9)18-17-10(19)12(13,14)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyNXUDBGCIEZJVRW-UHFFFAOYSA-N
XLogP2.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide
CID 1497824
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzohydrazide
CID 1497726
2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate
CID 50989248
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2,2-dimethylpropanamide
CID 17099839
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 17417571
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 56660116
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
CID 89465893
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide (CID 1497723) is 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide is COc1ccc(-c2csc(NNC(=O)C(F)(F)F)n2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide?
The InChIKey is NXUDBGCIEZJVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-20-8-4-2-7(3-5-8)9-6-21-11(16-9)18-17-10(19)12(13,14)15/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide?
2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide has a molecular weight of 317.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide is sourced from PubChem (CID 1497723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).