2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol

C10H12N2O2S — CID 146453884

IUPAC2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol
SMILESOCCCNc1nc2ccc(O)cc2s1
InChIInChI=1S/C10H12N2O2S/c13-5-1-4-11-10-12-8-3-2-7(14)6-9(8)15-10/h2-3,6,13-14H,1,4-5H2,(H,11,12)
InChIKeyZIHSKORCCBDAHR-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.80
Rot. Bonds4

About 2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol

2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol (PubChem CID 146453884) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol
PubChem CID146453884
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol
SMILESOCCCNc1nc2ccc(O)cc2s1
InChIInChI=1S/C10H12N2O2S/c13-5-1-4-11-10-12-8-3-2-7(14)6-9(8)15-10/h2-3,6,13-14H,1,4-5H2,(H,11,12)
InChIKeyZIHSKORCCBDAHR-UHFFFAOYSA-N
XLogP1.80
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride
CID 14749896
4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol
CID 63231374
(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
CID 87123446
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999
4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193008
2-[2-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethoxy]ethanol
CID 166270828
4-[(6-chloro-1,3-benzothiazol-2-yl)amino]butanamide
CID 79526160
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470
2-fluoro-1,3-benzothiazol-6-ol
CID 91882966
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol (CID 146453884) is 2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol is OCCCNc1nc2ccc(O)cc2s1.
What is the InChIKey of 2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol?
The InChIKey is ZIHSKORCCBDAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-5-1-4-11-10-12-8-3-2-7(14)6-9(8)15-10/h2-3,6,13-14H,1,4-5H2,(H,11,12).
What are the key properties of 2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol?
2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol has a molecular weight of 224.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 146453884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).