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

C10H15BrN2OS — CID 102633793

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1nc(Br)cs1)C1CCCCC1O
InChIInChI=1S/C10H15BrN2OS/c1-13(10-12-9(11)6-15-10)7-4-2-3-5-8(7)14/h6-8,14H,2-5H2,1H3
InChIKeyDPLWBNGFMKZRAU-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.65
Rot. Bonds2

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

2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102633793) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol
PubChem CID102633793
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1nc(Br)cs1)C1CCCCC1O
InChIInChI=1S/C10H15BrN2OS/c1-13(10-12-9(11)6-15-10)7-4-2-3-5-8(7)14/h6-8,14H,2-5H2,1H3
InChIKeyDPLWBNGFMKZRAU-UHFFFAOYSA-N
XLogP2.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol
CID 126856653
1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544014
2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635970
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide
CID 79400004
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol
CID 79399141
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 102634005
2-[methyl-(2-methyl-4-pyridinyl)amino]cyclohexan-1-ol
CID 102635956
4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 79399676
2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol
CID 79400025
2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol
CID 102633855
N-methyl-4-[1-(methylamino)ethyl]-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine
CID 64543157
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640220

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol (CID 102633793) is 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol is CN(c1nc(Br)cs1)C1CCCCC1O.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is DPLWBNGFMKZRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-13(10-12-9(11)6-15-10)7-4-2-3-5-8(7)14/h6-8,14H,2-5H2,1H3.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol?
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 291.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102633793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).