3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol

C13H19N3OS — CID 63231417

IUPAC3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1nc2ccc(N)cc2s1
InChIInChI=1S/C13H19N3OS/c1-9(2)16(6-3-7-17)13-15-11-5-4-10(14)8-12(11)18-13/h4-5,8-9,17H,3,6-7,14H2,1-2H3
InChIKeyZVABYEDAIRUCIV-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.48
Rot. Bonds5

About 3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol

3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol (PubChem CID 63231417) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol
PubChem CID63231417
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1nc2ccc(N)cc2s1
InChIInChI=1S/C13H19N3OS/c1-9(2)16(6-3-7-17)13-15-11-5-4-10(14)8-12(11)18-13/h4-5,8-9,17H,3,6-7,14H2,1-2H3
InChIKeyZVABYEDAIRUCIV-UHFFFAOYSA-N
XLogP2.48
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1,3-benzothiazol-2-yl(propan-2-yl)amino]propan-1-ol
CID 61146234
2-N-[3-(diethylamino)propyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 68770772
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol
CID 63231382
3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol
CID 102768036
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231059
2-N-ethyl-2-N-(2-methylbutyl)-1,3-benzothiazole-2,6-diamine
CID 79478206
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol
CID 63231458
2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3-benzothiazole-2,6-diamine
CID 63231299
2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231248
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960374
2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63405939
2-[(6-amino-1,3-benzothiazol-2-yl)-(cyanomethyl)amino]acetonitrile
CID 63231234

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol (CID 63231417) is 3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)c1nc2ccc(N)cc2s1.
What is the InChIKey of 3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol?
The InChIKey is ZVABYEDAIRUCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9(2)16(6-3-7-17)13-15-11-5-4-10(14)8-12(11)18-13/h4-5,8-9,17H,3,6-7,14H2,1-2H3.
What are the key properties of 3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol?
3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol has a molecular weight of 265.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 63231417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).