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

C12H15BrN2S — CID 65499430

IUPACN-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(Br)cc(C)c1NC1=NCC(C)S1
InChIInChI=1S/C12H15BrN2S/c1-7-4-10(13)5-8(2)11(7)15-12-14-6-9(3)16-12/h4-5,9H,6H2,1-3H3,(H,14,15)
InChIKeyCVFUVTOFWSSBOW-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.97
Rot. Bonds1

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

N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 65499430) has the molecular formula C12H15BrN2S and a molecular weight of 299.24 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID65499430
Molecular FormulaC12H15BrN2S
Molecular Weight299.24 g/mol
Exact Mass298.01
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(Br)cc(C)c1NC1=NCC(C)S1
InChIInChI=1S/C12H15BrN2S/c1-7-4-10(13)5-8(2)11(7)15-12-14-6-9(3)16-12/h4-5,9H,6H2,1-3H3,(H,14,15)
InChIKeyCVFUVTOFWSSBOW-UHFFFAOYSA-N
XLogP3.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2826648
5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 115564685
5-cyclopropyl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296192
5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113492342
N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294326
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
3-bromo-4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107791793
N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385642
N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285478
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385958
4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80828707
1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 7084301

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 65499430) is N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(Br)cc(C)c1NC1=NCC(C)S1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CVFUVTOFWSSBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2S/c1-7-4-10(13)5-8(2)11(7)15-12-14-6-9(3)16-12/h4-5,9H,6H2,1-3H3,(H,14,15).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 299.24 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 65499430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).