2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

C5H4F3N3OS — CID 89488133

IUPAC2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3OS/c6-5(7,8)4-10-2(1-13-4)3(12)11-9/h1H,9H2,(H,11,12)
InChIKeyIBFCYQLKWZRFKA-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.77
Rot. Bonds1

About 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 89488133) has the molecular formula C5H4F3N3OS and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
PubChem CID89488133
Molecular FormulaC5H4F3N3OS
Molecular Weight211.17 g/mol
Exact Mass211.00
IUPAC Name2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3OS/c6-5(7,8)4-10-2(1-13-4)3(12)11-9/h1H,9H2,(H,11,12)
InChIKeyIBFCYQLKWZRFKA-UHFFFAOYSA-N
XLogP0.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide 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-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 121264029
2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67450642
2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 120620106
(2S)-2-[(3S)-oxan-3-yl]-2-[[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 129470400
2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2744035
2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide
CID 82515623
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 118988320
4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 58337687
2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (CID 89488133) is 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is IBFCYQLKWZRFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3OS/c6-5(7,8)4-10-2(1-13-4)3(12)11-9/h1H,9H2,(H,11,12).
What are the key properties of 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 211.17 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 89488133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).