4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol

C15H15N3OS — CID 63231374

IUPAC4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol
SMILESNc1ccc2nc(NCCc3ccc(O)cc3)sc2c1
InChIInChI=1S/C15H15N3OS/c16-11-3-6-13-14(9-11)20-15(18-13)17-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8,16H2,(H,17,18)
InChIKeyLNWQFHPDVYMFOS-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.24
Rot. Bonds4

About 4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol

4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol (PubChem CID 63231374) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol
PubChem CID63231374
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol
SMILESNc1ccc2nc(NCCc3ccc(O)cc3)sc2c1
InChIInChI=1S/C15H15N3OS/c16-11-3-6-13-14(9-11)20-15(18-13)17-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8,16H2,(H,17,18)
InChIKeyLNWQFHPDVYMFOS-UHFFFAOYSA-N
XLogP3.24
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(3,5-difluorophenyl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 63231503
2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115817
2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 106035818
2-N-[2-[4-(spiro[4.6]undecan-9-ylideneamino)phenyl]ethyl]-1,3-benzothiazole-2,6-diamine;dihydrate
CID 143137328
2-N-(4-methylpentyl)-1,3-benzothiazole-2,6-diamine
CID 55175156
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
2-N-(3-methylsulfanylpropyl)-1,3-benzothiazole-2,6-diamine
CID 63983124
3-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83116702
2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol
CID 146453884
2-N-(3-propoxypropyl)-1,3-benzothiazole-2,6-diamine
CID 82940537
2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine
CID 63231257
N-(2-phenylethyl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 82549328

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol (CID 63231374) is 4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol is Nc1ccc2nc(NCCc3ccc(O)cc3)sc2c1.
What is the InChIKey of 4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol?
The InChIKey is LNWQFHPDVYMFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-11-3-6-13-14(9-11)20-15(18-13)17-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8,16H2,(H,17,18).
What are the key properties of 4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol?
4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol has a molecular weight of 285.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 63231374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).