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

C9H15F3N4S — CID 79764512

IUPACN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C9H15F3N4S/c1-2-3-16(6-9(10,11)12)5-7-4-14-8(15-13)17-7/h4H,2-3,5-6,13H2,1H3,(H,14,15)
InChIKeyMTZMAZHJXIIKED-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.20
Rot. Bonds6

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

N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 79764512) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID79764512
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C9H15F3N4S/c1-2-3-16(6-9(10,11)12)5-7-4-14-8(15-13)17-7/h4H,2-3,5-6,13H2,1H3,(H,14,15)
InChIKeyMTZMAZHJXIIKED-UHFFFAOYSA-N
XLogP2.20
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.20
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)propan-1-amine?
The IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 79764512) is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1cnc(NN)s1)CC(F)(F)F.
What is the InChIKey of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is MTZMAZHJXIIKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-2-3-16(6-9(10,11)12)5-7-4-14-8(15-13)17-7/h4H,2-3,5-6,13H2,1H3,(H,14,15).
What are the key properties of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 268.31 g/mol, XLogP of 2.20, 6 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)propan-1-amine is sourced from PubChem (CID 79764512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).