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

C8H13BrN2OS — CID 104696832

IUPAC4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)c1nc(Br)cs1
InChIInChI=1S/C8H13BrN2OS/c1-6(12)3-4-11(2)8-10-7(9)5-13-8/h5-6,12H,3-4H2,1-2H3
InChIKeyDAPRCCGJRQMPTL-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.11
Rot. Bonds4

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

4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol (PubChem CID 104696832) has the molecular formula C8H13BrN2OS and a molecular weight of 265.18 g/mol. Its IUPAC name is 4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol
PubChem CID104696832
Molecular FormulaC8H13BrN2OS
Molecular Weight265.18 g/mol
Exact Mass263.99
IUPAC Name4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)c1nc(Br)cs1
InChIInChI=1S/C8H13BrN2OS/c1-6(12)3-4-11(2)8-10-7(9)5-13-8/h5-6,12H,3-4H2,1-2H3
InChIKeyDAPRCCGJRQMPTL-UHFFFAOYSA-N
XLogP2.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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
N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 79399304
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-methylsulfonylethyl)-1,3-thiazol-2-amine
CID 79864884
1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79400046
4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 79399432
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide
CID 79400004
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 115691904
4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 79399676
4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 102769067

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol (CID 104696832) is 4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol is CC(O)CCN(C)c1nc(Br)cs1.
What is the InChIKey of 4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
The InChIKey is DAPRCCGJRQMPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2OS/c1-6(12)3-4-11(2)8-10-7(9)5-13-8/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol has a molecular weight of 265.18 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol is sourced from PubChem (CID 104696832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).