3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine

C9H15BrN2S — CID 167135085

IUPAC3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine
SMILESCCC(CCNC)c1ncc(Br)s1
InChIInChI=1S/C9H15BrN2S/c1-3-7(4-5-11-2)9-12-6-8(10)13-9/h6-7,11H,3-5H2,1-2H3
InChIKeySIJYXUBFJOKYAH-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.01
Rot. Bonds5

About 3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine

3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine (PubChem CID 167135085) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine
PubChem CID167135085
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine
SMILESCCC(CCNC)c1ncc(Br)s1
InChIInChI=1S/C9H15BrN2S/c1-3-7(4-5-11-2)9-12-6-8(10)13-9/h6-7,11H,3-5H2,1-2H3
InChIKeySIJYXUBFJOKYAH-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine?
The IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine (CID 167135085) is 3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine?
The canonical SMILES for 3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine is CCC(CCNC)c1ncc(Br)s1.
What is the InChIKey of 3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine?
The InChIKey is SIJYXUBFJOKYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-3-7(4-5-11-2)9-12-6-8(10)13-9/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine?
3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine has a molecular weight of 263.20 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-thiazol-2-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 167135085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).