4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide

C10H13F3N4OS — CID 55212279

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN(CC(F)(F)F)C2CC2)cs1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)5-17(7-1-2-7)3-6-4-19-9(15-6)8(18)16-14/h4,7H,1-3,5,14H2,(H,16,18)
InChIKeyXJBCXCCKFPGVME-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.27
Rot. Bonds5

About 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 55212279) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID55212279
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN(CC(F)(F)F)C2CC2)cs1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)5-17(7-1-2-7)3-6-4-19-9(15-6)8(18)16-14/h4,7H,1-3,5,14H2,(H,16,18)
InChIKeyXJBCXCCKFPGVME-UHFFFAOYSA-N
XLogP1.27
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 55212279) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN(CC(F)(F)F)C2CC2)cs1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is XJBCXCCKFPGVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c11-10(12,13)5-17(7-1-2-7)3-6-4-19-9(15-6)8(18)16-14/h4,7H,1-3,5,14H2,(H,16,18).
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 294.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 55212279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).