2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine

C8H14BrN3S — CID 79399915

IUPAC2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine
SMILESCCCC(CN)Nc1nc(Br)cs1
InChIInChI=1S/C8H14BrN3S/c1-2-3-6(4-10)11-8-12-7(9)5-13-8/h5-6H,2-4,10H2,1H3,(H,11,12)
InChIKeyWESMMLDRURTNAD-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.44
Rot. Bonds5

About 2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine

2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine (PubChem CID 79399915) has the molecular formula C8H14BrN3S and a molecular weight of 264.19 g/mol. Its IUPAC name is 2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine
PubChem CID79399915
Molecular FormulaC8H14BrN3S
Molecular Weight264.19 g/mol
Exact Mass263.01
IUPAC Name2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine
SMILESCCCC(CN)Nc1nc(Br)cs1
InChIInChI=1S/C8H14BrN3S/c1-2-3-6(4-10)11-8-12-7(9)5-13-8/h5-6H,2-4,10H2,1H3,(H,11,12)
InChIKeyWESMMLDRURTNAD-UHFFFAOYSA-N
XLogP2.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine?
The IUPAC name of 2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine (CID 79399915) is 2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine is CCCC(CN)Nc1nc(Br)cs1.
What is the InChIKey of 2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine?
The InChIKey is WESMMLDRURTNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3S/c1-2-3-6(4-10)11-8-12-7(9)5-13-8/h5-6H,2-4,10H2,1H3,(H,11,12).
What are the key properties of 2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine?
2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine has a molecular weight of 264.19 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 79399915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).