5-bromo-2-heptan-4-yl-1,3-thiazole

C10H16BrNS — CID 155693591

IUPAC5-bromo-2-heptan-4-yl-1,3-thiazole
SMILESCCCC(CCC)c1ncc(Br)s1
InChIInChI=1S/C10H16BrNS/c1-3-5-8(6-4-2)10-12-7-9(11)13-10/h7-8H,3-6H2,1-2H3
InChIKeyZTOZCOLBTNPFBP-UHFFFAOYSA-N
MW262.22 g/mol
LogP4.59
Rot. Bonds5

About 5-bromo-2-heptan-4-yl-1,3-thiazole

5-bromo-2-heptan-4-yl-1,3-thiazole (PubChem CID 155693591) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 5-bromo-2-heptan-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-heptan-4-yl-1,3-thiazole
PubChem CID155693591
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name5-bromo-2-heptan-4-yl-1,3-thiazole
SMILESCCCC(CCC)c1ncc(Br)s1
InChIInChI=1S/C10H16BrNS/c1-3-5-8(6-4-2)10-12-7-9(11)13-10/h7-8H,3-6H2,1-2H3
InChIKeyZTOZCOLBTNPFBP-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-heptan-4-yl-1,3-thiazole?
The IUPAC name of 5-bromo-2-heptan-4-yl-1,3-thiazole (CID 155693591) is 5-bromo-2-heptan-4-yl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-heptan-4-yl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-heptan-4-yl-1,3-thiazole is CCCC(CCC)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-heptan-4-yl-1,3-thiazole?
The InChIKey is ZTOZCOLBTNPFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-3-5-8(6-4-2)10-12-7-9(11)13-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-bromo-2-heptan-4-yl-1,3-thiazole?
5-bromo-2-heptan-4-yl-1,3-thiazole has a molecular weight of 262.22 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-heptan-4-yl-1,3-thiazole is sourced from PubChem (CID 155693591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).