1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol

C15H15N3OS — CID 60874725

IUPAC1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol
SMILESNc1ccc(C(O)CNc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H15N3OS/c16-11-7-5-10(6-8-11)13(19)9-17-15-18-12-3-1-2-4-14(12)20-15/h1-8,13,19H,9,16H2,(H,17,18)
InChIKeyGSHMPTWMOVVIFT-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol

1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol (PubChem CID 60874725) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol
PubChem CID60874725
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol
SMILESNc1ccc(C(O)CNc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H15N3OS/c16-11-7-5-10(6-8-11)13(19)9-17-15-18-12-3-1-2-4-14(12)20-15/h1-8,13,19H,9,16H2,(H,17,18)
InChIKeyGSHMPTWMOVVIFT-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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

N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958
1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
CID 115622903
1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol
CID 113237740
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
1-(4-aminophenyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305563
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896
N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 62503193
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol
CID 155758987
1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol
CID 167929863

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol (CID 60874725) is 1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol is Nc1ccc(C(O)CNc2nc3ccccc3s2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol?
The InChIKey is GSHMPTWMOVVIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-11-7-5-10(6-8-11)13(19)9-17-15-18-12-3-1-2-4-14(12)20-15/h1-8,13,19H,9,16H2,(H,17,18).
What are the key properties of 1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol?
1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol has a molecular weight of 285.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol is sourced from PubChem (CID 60874725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).