N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H18Br2N2S — CID 107601423

IUPACN-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(Nc2c(Br)cccc2Br)S1
InChIInChI=1S/C14H18Br2N2S/c1-14(2,3)7-9-8-17-13(19-9)18-12-10(15)5-4-6-11(12)16/h4-6,9H,7-8H2,1-3H3,(H,17,18)
InChIKeyQEIJRAWXYITVFX-UHFFFAOYSA-N
MW406.19 g/mol
LogP5.53
Rot. Bonds2

About N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107601423) has the molecular formula C14H18Br2N2S and a molecular weight of 406.19 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107601423
Molecular FormulaC14H18Br2N2S
Molecular Weight406.19 g/mol
Exact Mass403.96
IUPAC NameN-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(Nc2c(Br)cccc2Br)S1
InChIInChI=1S/C14H18Br2N2S/c1-14(2,3)7-9-8-17-13(19-9)18-12-10(15)5-4-6-11(12)16/h4-6,9H,7-8H2,1-3H3,(H,17,18)
InChIKeyQEIJRAWXYITVFX-UHFFFAOYSA-N
XLogP5.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.19
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154621
N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154643
N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153718
N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154351
N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153777
3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-4-methylbenzonitrile
CID 107154266
N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153761
5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154544
5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154862
N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153785
5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154151
5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 3119343

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107601423) is N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(Nc2c(Br)cccc2Br)S1.
What is the InChIKey of N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QEIJRAWXYITVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2S/c1-14(2,3)7-9-8-17-13(19-9)18-12-10(15)5-4-6-11(12)16/h4-6,9H,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 406.19 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107601423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).