4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H13Br3N2S — CID 107857577

IUPAC4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(Nc2c(Br)cc(Br)cc2Br)=N1
InChIInChI=1S/C12H13Br3N2S/c1-6(2)10-5-18-12(16-10)17-11-8(14)3-7(13)4-9(11)15/h3-4,6,10H,5H2,1-2H3,(H,16,17)
InChIKeyJPEKCPYVKGXOJY-UHFFFAOYSA-N
MW457.03 g/mol
LogP5.51
Rot. Bonds2

About 4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine

4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107857577) has the molecular formula C12H13Br3N2S and a molecular weight of 457.03 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107857577
Molecular FormulaC12H13Br3N2S
Molecular Weight457.03 g/mol
Exact Mass453.83
IUPAC Name4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(Nc2c(Br)cc(Br)cc2Br)=N1
InChIInChI=1S/C12H13Br3N2S/c1-6(2)10-5-18-12(16-10)17-11-8(14)3-7(13)4-9(11)15/h3-4,6,10H,5H2,1-2H3,(H,16,17)
InChIKeyJPEKCPYVKGXOJY-UHFFFAOYSA-N
XLogP5.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.03
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857701
(4S)-N-(3-bromo-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246393
N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009788
(4S)-N-(4-bromo-3-methoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 82859403
(4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275237
(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 11241486
N-(2-bromo-5-chloro-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858130
(4S)-N-(4-bromo-5-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985894
(4S)-4-propan-2-yl-N-(3-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79246375
4-ethyl-N-(2,4,6-tribromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113495903
N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009766
(4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985896

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107857577) is 4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CSC(Nc2c(Br)cc(Br)cc2Br)=N1.
What is the InChIKey of 4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JPEKCPYVKGXOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br3N2S/c1-6(2)10-5-18-12(16-10)17-11-8(14)3-7(13)4-9(11)15/h3-4,6,10H,5H2,1-2H3,(H,16,17).
What are the key properties of 4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 457.03 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107857577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).