N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C16H23BrN2S — CID 106285478

IUPACN-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2c(C)cc(C)cc2Br)S1
InChIInChI=1S/C16H23BrN2S/c1-5-12(6-2)14-9-18-16(20-14)19-15-11(4)7-10(3)8-13(15)17/h7-8,12,14H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyRRZKHSYJBPSIAK-UHFFFAOYSA-N
MW355.35 g/mol
LogP5.39
Rot. Bonds4

About N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285478) has the molecular formula C16H23BrN2S and a molecular weight of 355.35 g/mol. Its IUPAC name is N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285478
Molecular FormulaC16H23BrN2S
Molecular Weight355.35 g/mol
Exact Mass354.08
IUPAC NameN-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2c(C)cc(C)cc2Br)S1
InChIInChI=1S/C16H23BrN2S/c1-5-12(6-2)14-9-18-16(20-14)19-15-11(4)7-10(3)8-13(15)17/h7-8,12,14H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyRRZKHSYJBPSIAK-UHFFFAOYSA-N
XLogP5.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.35
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285478) is N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2c(C)cc(C)cc2Br)S1.
What is the InChIKey of N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RRZKHSYJBPSIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2S/c1-5-12(6-2)14-9-18-16(20-14)19-15-11(4)7-10(3)8-13(15)17/h7-8,12,14H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 355.35 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).