4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol

C13H15BrN2OS — CID 167953845

IUPAC4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol
SMILESOCCCCNc1snc(-c2ccccc2)c1Br
InChIInChI=1S/C13H15BrN2OS/c14-11-12(10-6-2-1-3-7-10)16-18-13(11)15-8-4-5-9-17/h1-3,6-7,15,17H,4-5,8-9H2
InChIKeyVUHUOLXJXYYNTO-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.76
Rot. Bonds6

About 4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol

4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol (PubChem CID 167953845) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol
PubChem CID167953845
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol
SMILESOCCCCNc1snc(-c2ccccc2)c1Br
InChIInChI=1S/C13H15BrN2OS/c14-11-12(10-6-2-1-3-7-10)16-18-13(11)15-8-4-5-9-17/h1-3,6-7,15,17H,4-5,8-9H2
InChIKeyVUHUOLXJXYYNTO-UHFFFAOYSA-N
XLogP3.76
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,1-benzothiazol-3-ylamino)pentan-1-ol
CID 107302591
5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
CID 107324546
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
10-anilinodecan-1-ol
CID 10955954
6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol
CID 107848714
2-[3-(2,1-benzothiazol-3-ylamino)propoxy]ethanol
CID 113362580
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
methyl 3-bromo-4-(6-hydroxyhexylamino)quinoline-2-carboxylate
CID 167987475
[5-(hydroxymethyl)-3-phenyl-1,2-thiazol-4-yl]methanol
CID 13435381
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol?
The IUPAC name of 4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol (CID 167953845) is 4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol is OCCCCNc1snc(-c2ccccc2)c1Br.
What is the InChIKey of 4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol?
The InChIKey is VUHUOLXJXYYNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c14-11-12(10-6-2-1-3-7-10)16-18-13(11)15-8-4-5-9-17/h1-3,6-7,15,17H,4-5,8-9H2.
What are the key properties of 4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol?
4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol has a molecular weight of 327.25 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-phenyl-1,2-thiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 167953845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).