2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol

C10H12N2OS — CID 58488163

IUPAC2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol
SMILESCC(C)(O)c1cc2scnc2cc1N
InChIInChI=1S/C10H12N2OS/c1-10(2,13)6-3-9-8(4-7(6)11)12-5-14-9/h3-5,13H,11H2,1-2H3
InChIKeyVBLDXXQVYGYEOM-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.11
Rot. Bonds1

About 2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol

2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol (PubChem CID 58488163) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol
PubChem CID58488163
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol
SMILESCC(C)(O)c1cc2scnc2cc1N
InChIInChI=1S/C10H12N2OS/c1-10(2,13)6-3-9-8(4-7(6)11)12-5-14-9/h3-5,13H,11H2,1-2H3
InChIKeyVBLDXXQVYGYEOM-UHFFFAOYSA-N
XLogP2.11
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol
CID 83904080
2-(2-amino-4,5-dichlorophenyl)propan-2-ol
CID 139377730
[1,3]thiazolo[5,4-g]quinoxaline
CID 45077795
2-(2-amino-5-bromophenyl)propan-2-ol
CID 12042275
2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol
CID 117296528
2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 101175116
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 21073242
1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine
CID 89383797
5-ethoxy-6-methyl-1,3-benzothiazole
CID 22609016
1,3-benzothiazol-5-ol
CID 3596506
2-(2-amino-4-bromophenyl)propan-2-ol
CID 57155706

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol?
The IUPAC name of 2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol (CID 58488163) is 2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol.
What is the SMILES notation for 2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol?
The canonical SMILES for 2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol is CC(C)(O)c1cc2scnc2cc1N.
What is the InChIKey of 2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol?
The InChIKey is VBLDXXQVYGYEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-10(2,13)6-3-9-8(4-7(6)11)12-5-14-9/h3-5,13H,11H2,1-2H3.
What are the key properties of 2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol?
2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol has a molecular weight of 208.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3-benzothiazol-6-yl)propan-2-ol is sourced from PubChem (CID 58488163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).