N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C9H13F3N4S — CID 79764380

IUPACN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNNc1ncc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)5-16(6-1-2-6)4-7-3-14-8(15-13)17-7/h3,6H,1-2,4-5,13H2,(H,14,15)
InChIKeyRSKRMMYMTQWILA-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.96
Rot. Bonds5

About N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 79764380) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID79764380
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNNc1ncc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)5-16(6-1-2-6)4-7-3-14-8(15-13)17-7/h3,6H,1-2,4-5,13H2,(H,14,15)
InChIKeyRSKRMMYMTQWILA-UHFFFAOYSA-N
XLogP1.96
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 79764380) is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is NNc1ncc(CN(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is RSKRMMYMTQWILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c10-9(11,12)5-16(6-1-2-6)4-7-3-14-8(15-13)17-7/h3,6H,1-2,4-5,13H2,(H,14,15).
What are the key properties of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 266.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 79764380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).