4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide

C11H16F3N5OS — CID 63585009

IUPAC4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C11H16F3N5OS/c12-11(13,14)7-19-3-1-18(2-4-19)5-8-6-21-10(16-8)9(20)17-15/h6H,1-5,7,15H2,(H,17,20)
InChIKeyDQDROJVRUZYDCV-UHFFFAOYSA-N
MW323.34 g/mol
LogP0.43
Rot. Bonds4

About 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide

4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63585009) has the molecular formula C11H16F3N5OS and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63585009
Molecular FormulaC11H16F3N5OS
Molecular Weight323.34 g/mol
Exact Mass323.10
IUPAC Name4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C11H16F3N5OS/c12-11(13,14)7-19-3-1-18(2-4-19)5-8-6-21-10(16-8)9(20)17-15/h6H,1-5,7,15H2,(H,17,20)
InChIKeyDQDROJVRUZYDCV-UHFFFAOYSA-N
XLogP0.43
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

4-(4-Fluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121303668
4-(4,4-Difluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121304030
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212279
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55215204
2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetyl]acetohydrazide
CID 56173440
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583366
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585223
4-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 65545256
4-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 65545516
4-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 65545734
[2-(Aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 66375560

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide (CID 63585009) is 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN2CCN(CC(F)(F)F)CC2)cs1.
What is the InChIKey of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is DQDROJVRUZYDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5OS/c12-11(13,14)7-19-3-1-18(2-4-19)5-8-6-21-10(16-8)9(20)17-15/h6H,1-5,7,15H2,(H,17,20).
What are the key properties of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 323.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63585009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).