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

C11H14N2O2S — CID 82621598

IUPAC2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol
SMILESCOc1ccc2sc(C(O)C(C)N)nc2c1
InChIInChI=1S/C11H14N2O2S/c1-6(12)10(14)11-13-8-5-7(15-2)3-4-9(8)16-11/h3-6,10,14H,12H2,1-2H3
InChIKeyMCIVUHUMDLRCJB-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.69
Rot. Bonds3

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

2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol (PubChem CID 82621598) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol
PubChem CID82621598
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol
SMILESCOc1ccc2sc(C(O)C(C)N)nc2c1
InChIInChI=1S/C11H14N2O2S/c1-6(12)10(14)11-13-8-5-7(15-2)3-4-9(8)16-11/h3-6,10,14H,12H2,1-2H3
InChIKeyMCIVUHUMDLRCJB-UHFFFAOYSA-N
XLogP1.69
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
ethyl 3,4-dihydroxy-4-(6-methoxy-1,3-benzothiazol-2-yl)butanoate
CID 171898169
1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 18449216
5-methoxy-1,3-benzothiazole-2-carboxylic acid
CID 45077357
(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
CID 79510887
(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol
CID 66584990
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol
CID 647548
2-[(5-methoxy-1,3-benzothiazole-2-carbonyl)amino]propanoic acid
CID 110485627
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
methyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)acetate
CID 117417547

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol (CID 82621598) is 2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol is COc1ccc2sc(C(O)C(C)N)nc2c1.
What is the InChIKey of 2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol?
The InChIKey is MCIVUHUMDLRCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-6(12)10(14)11-13-8-5-7(15-2)3-4-9(8)16-11/h3-6,10,14H,12H2,1-2H3.
What are the key properties of 2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol?
2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol is sourced from PubChem (CID 82621598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).