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

C11H17BrN2S — CID 130765960

IUPAC4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine
SMILESCCC(Nc1nc(Br)cs1)C1CCCC1
InChIInChI=1S/C11H17BrN2S/c1-2-9(8-5-3-4-6-8)13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyPPSQPIGJYUFGKP-UHFFFAOYSA-N
MW289.24 g/mol
LogP4.29
Rot. Bonds4

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

4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine (PubChem CID 130765960) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine
PubChem CID130765960
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine
SMILESCCC(Nc1nc(Br)cs1)C1CCCC1
InChIInChI=1S/C11H17BrN2S/c1-2-9(8-5-3-4-6-8)13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyPPSQPIGJYUFGKP-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 54.29
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-cyclopentylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine (CID 130765960) is 4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine is CCC(Nc1nc(Br)cs1)C1CCCC1.
What is the InChIKey of 4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine?
The InChIKey is PPSQPIGJYUFGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-2-9(8-5-3-4-6-8)13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine?
4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine has a molecular weight of 289.24 g/mol, XLogP of 4.29, 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-cyclopentylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130765960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).