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

C9H15BrN2S — CID 130977842

IUPAC5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(C)C(C)Nc1ncc(Br)s1
InChIInChI=1S/C9H15BrN2S/c1-4-6(2)7(3)12-9-11-5-8(10)13-9/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyYPCOLBTUDMVINQ-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.75
Rot. Bonds4

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

5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine (PubChem CID 130977842) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine
PubChem CID130977842
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(C)C(C)Nc1ncc(Br)s1
InChIInChI=1S/C9H15BrN2S/c1-4-6(2)7(3)12-9-11-5-8(10)13-9/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyYPCOLBTUDMVINQ-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine (CID 130977842) is 5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine is CCC(C)C(C)Nc1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is YPCOLBTUDMVINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-4-6(2)7(3)12-9-11-5-8(10)13-9/h5-7H,4H2,1-3H3,(H,11,12).
What are the key properties of 5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine?
5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 263.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130977842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).