N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine

C10H16F3N3S — CID 112737936

IUPACN'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine
SMILESNCCC(CCNCc1cncs1)C(F)(F)F
InChIInChI=1S/C10H16F3N3S/c11-10(12,13)8(1-3-14)2-4-15-5-9-6-16-7-17-9/h6-8,15H,1-5,14H2
InChIKeyHBKPHNLWJXNEQV-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.15
Rot. Bonds7

About N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine

N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine (PubChem CID 112737936) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine
PubChem CID112737936
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine
SMILESNCCC(CCNCc1cncs1)C(F)(F)F
InChIInChI=1S/C10H16F3N3S/c11-10(12,13)8(1-3-14)2-4-15-5-9-6-16-7-17-9/h6-8,15H,1-5,14H2
InChIKeyHBKPHNLWJXNEQV-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 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 ≤ 52.15
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'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine?
The IUPAC name of N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine (CID 112737936) is N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine?
The canonical SMILES for N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine is NCCC(CCNCc1cncs1)C(F)(F)F.
What is the InChIKey of N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine?
The InChIKey is HBKPHNLWJXNEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c11-10(12,13)8(1-3-14)2-4-15-5-9-6-16-7-17-9/h6-8,15H,1-5,14H2.
What are the key properties of N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine?
N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine has a molecular weight of 267.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pentane-1,5-diamine is sourced from PubChem (CID 112737936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).