N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H16F3N3S — CID 79261632

IUPACN'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCC(NCCNCC(F)(F)F)c1nccs1
InChIInChI=1S/C10H16F3N3S/c1-2-8(9-16-5-6-17-9)15-4-3-14-7-10(11,12)13/h5-6,8,14-15H,2-4,7H2,1H3
InChIKeyTXZUWFLKYDUOSB-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.34
Rot. Bonds7

About N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 79261632) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID79261632
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCC(NCCNCC(F)(F)F)c1nccs1
InChIInChI=1S/C10H16F3N3S/c1-2-8(9-16-5-6-17-9)15-4-3-14-7-10(11,12)13/h5-6,8,14-15H,2-4,7H2,1H3
InChIKeyTXZUWFLKYDUOSB-UHFFFAOYSA-N
XLogP2.34
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 79261632) is N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCC(NCCNCC(F)(F)F)c1nccs1.
What is the InChIKey of N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is TXZUWFLKYDUOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-2-8(9-16-5-6-17-9)15-4-3-14-7-10(11,12)13/h5-6,8,14-15H,2-4,7H2,1H3.
What are the key properties of N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 267.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 79261632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).