4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine

C12H19BrN2S — CID 79398900

IUPAC4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine
SMILESCCC(Nc1nc(Br)cs1)C1CCCCC1
InChIInChI=1S/C12H19BrN2S/c1-2-10(9-6-4-3-5-7-9)14-12-15-11(13)8-16-12/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyQLQFISPZISLCJH-UHFFFAOYSA-N
MW303.27 g/mol
LogP4.68
Rot. Bonds4

About 4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine

4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine (PubChem CID 79398900) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine
PubChem CID79398900
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine
SMILESCCC(Nc1nc(Br)cs1)C1CCCCC1
InChIInChI=1S/C12H19BrN2S/c1-2-10(9-6-4-3-5-7-9)14-12-15-11(13)8-16-12/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyQLQFISPZISLCJH-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine (CID 79398900) is 4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine is CCC(Nc1nc(Br)cs1)C1CCCCC1.
What is the InChIKey of 4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine?
The InChIKey is QLQFISPZISLCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-2-10(9-6-4-3-5-7-9)14-12-15-11(13)8-16-12/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine?
4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine has a molecular weight of 303.27 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79398900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).