1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine

C11H16N4S2 — CID 597966

IUPAC1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine
SMILESCCCCC(Nc1nccs1)Nc1nccs1
InChIInChI=1S/C11H16N4S2/c1-2-3-4-9(14-10-12-5-7-16-10)15-11-13-6-8-17-11/h5-9H,2-4H2,1H3,(H,12,14)(H,13,15)
InChIKeyDKMYOFXKPZXEJR-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.64
Rot. Bonds7

About 1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine

1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine (PubChem CID 597966) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine
PubChem CID597966
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine
SMILESCCCCC(Nc1nccs1)Nc1nccs1
InChIInChI=1S/C11H16N4S2/c1-2-3-4-9(14-10-12-5-7-16-10)15-11-13-6-8-17-11/h5-9H,2-4H2,1H3,(H,12,14)(H,13,15)
InChIKeyDKMYOFXKPZXEJR-UHFFFAOYSA-N
XLogP3.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-dec-1-en-4-yl-1,3-thiazol-2-amine
CID 4711973
N-hex-1-yn-3-yl-1,3-thiazol-2-amine
CID 106231440
1-(1,3-thiazol-2-ylamino)propane-1-thiol
CID 123498240
N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 3116902
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
CID 104828727
N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 43079498
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
N-but-3-yn-2-yl-1,3-thiazol-2-amine
CID 114417967

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine (CID 597966) is 1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine is CCCCC(Nc1nccs1)Nc1nccs1.
What is the InChIKey of 1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine?
The InChIKey is DKMYOFXKPZXEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-2-3-4-9(14-10-12-5-7-16-10)15-11-13-6-8-17-11/h5-9H,2-4H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine?
1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine has a molecular weight of 268.41 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine is sourced from PubChem (CID 597966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).