1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol

C8H13BrN2OS — CID 79400046

IUPAC1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(Br)cs1
InChIInChI=1S/C8H13BrN2OS/c1-8(2,12)5-11(3)7-10-6(9)4-13-7/h4,12H,5H2,1-3H3
InChIKeyWZXOJVFBSGGYPJ-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.11
Rot. Bonds3

About 1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol

1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 79400046) has the molecular formula C8H13BrN2OS and a molecular weight of 265.18 g/mol. Its IUPAC name is 1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID79400046
Molecular FormulaC8H13BrN2OS
Molecular Weight265.18 g/mol
Exact Mass263.99
IUPAC Name1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(Br)cs1
InChIInChI=1S/C8H13BrN2OS/c1-8(2,12)5-11(3)7-10-6(9)4-13-7/h4,12H,5H2,1-3H3
InChIKeyWZXOJVFBSGGYPJ-UHFFFAOYSA-N
XLogP2.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol
CID 79399141
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide
CID 79400004
4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 79399798
N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 79399304
4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 104696832
4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 79398898
3-[(4-bromo-1,3-thiazol-2-yl)-methylamino]propanethioamide
CID 79399462
4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine
CID 67962478
4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 79399676
4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
CID 79864884
4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 79399432
4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 164658597

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol (CID 79400046) is 1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1nc(Br)cs1.
What is the InChIKey of 1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is WZXOJVFBSGGYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2OS/c1-8(2,12)5-11(3)7-10-6(9)4-13-7/h4,12H,5H2,1-3H3.
What are the key properties of 1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol?
1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 265.18 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79400046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).