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

C9H15F3N4S — CID 79764246

IUPACN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1cnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C9H15F3N4S/c1-6(2)16(5-9(10,11)12)4-7-3-14-8(15-13)17-7/h3,6H,4-5,13H2,1-2H3,(H,14,15)
InChIKeyJGFXJTJGQVWVBS-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.20
Rot. Bonds5

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

N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 79764246) 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-2-amine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID79764246
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-2-amine
SMILESCC(C)N(Cc1cnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C9H15F3N4S/c1-6(2)16(5-9(10,11)12)4-7-3-14-8(15-13)17-7/h3,6H,4-5,13H2,1-2H3,(H,14,15)
InChIKeyJGFXJTJGQVWVBS-UHFFFAOYSA-N
XLogP2.20
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

2-Hydrazinyl-5-methylthiazole
CID 45076310
5-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902687
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
CID 43755056
5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112446
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750009
5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750348
N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750611
5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750612
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750613
5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750614
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750854
5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752389

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 79764246) is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(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-2-amine?
The InChIKey is JGFXJTJGQVWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-6(2)16(5-9(10,11)12)4-7-3-14-8(15-13)17-7/h3,6H,4-5,13H2,1-2H3,(H,14,15).
What are the key properties of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 268.31 g/mol, XLogP of 2.20, 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)propan-2-amine is sourced from PubChem (CID 79764246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).