5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

C10H13F3N4O3S — CID 167159314

IUPAC5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESCN(CCOCC=O)c1sc(C(F)(F)F)nc1C(=O)NN
InChIInChI=1S/C10H13F3N4O3S/c1-17(2-4-20-5-3-18)8-6(7(19)16-14)15-9(21-8)10(11,12)13/h3H,2,4-5,14H2,1H3,(H,16,19)
InChIKeySDDXTCCJLCPIAV-UHFFFAOYSA-N
MW326.30 g/mol
LogP0.42
Rot. Bonds7

About 5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 167159314) has the molecular formula C10H13F3N4O3S and a molecular weight of 326.30 g/mol. Its IUPAC name is 5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
PubChem CID167159314
Molecular FormulaC10H13F3N4O3S
Molecular Weight326.30 g/mol
Exact Mass326.07
IUPAC Name5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESCN(CCOCC=O)c1sc(C(F)(F)F)nc1C(=O)NN
InChIInChI=1S/C10H13F3N4O3S/c1-17(2-4-20-5-3-18)8-6(7(19)16-14)15-9(21-8)10(11,12)13/h3H,2,4-5,14H2,1H3,(H,16,19)
InChIKeySDDXTCCJLCPIAV-UHFFFAOYSA-N
XLogP0.42
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(3-Oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 126482666
N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 126498081
tert-butyl N-[[5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 134461702
5-Morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 137355678
Ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 142553274
5-[Ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 154040324
5-Morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbohydrazide
CID 126483057
2-Methyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 161101698
2-Bromo-5-morpholinothiazole-4-carbohydrazide
CID 170994332

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (CID 167159314) is 5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is CN(CCOCC=O)c1sc(C(F)(F)F)nc1C(=O)NN.
What is the InChIKey of 5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is SDDXTCCJLCPIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O3S/c1-17(2-4-20-5-3-18)8-6(7(19)16-14)15-9(21-8)10(11,12)13/h3H,2,4-5,14H2,1H3,(H,16,19).
What are the key properties of 5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 326.30 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 167159314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).