N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide

C11H17F3N4O2S — CID 176698613

IUPACN-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc(CNNCCOC(F)(F)F)cs1
InChIInChI=1S/C11H17F3N4O2S/c1-7(2)17-9(19)10-18-8(6-21-10)5-16-15-3-4-20-11(12,13)14/h6-7,15-16H,3-5H2,1-2H3,(H,17,19)
InChIKeyJUFBTGUEKKCEFH-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.41
Rot. Bonds8

About N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide

N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide (PubChem CID 176698613) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide
PubChem CID176698613
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC NameN-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc(CNNCCOC(F)(F)F)cs1
InChIInChI=1S/C11H17F3N4O2S/c1-7(2)17-9(19)10-18-8(6-21-10)5-16-15-3-4-20-11(12,13)14/h6-7,15-16H,3-5H2,1-2H3,(H,17,19)
InChIKeyJUFBTGUEKKCEFH-UHFFFAOYSA-N
XLogP1.41
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide (CID 176698613) is N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide is CC(C)NC(=O)c1nc(CNNCCOC(F)(F)F)cs1.
What is the InChIKey of N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is JUFBTGUEKKCEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-7(2)17-9(19)10-18-8(6-21-10)5-16-15-3-4-20-11(12,13)14/h6-7,15-16H,3-5H2,1-2H3,(H,17,19).
What are the key properties of N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide?
N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 176698613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).