2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine

C11H14N2OS — CID 119087334

IUPAC2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine
SMILESCOc1cccc2sc(C(C)(C)N)nc12
InChIInChI=1S/C11H14N2OS/c1-11(2,12)10-13-9-7(14-3)5-4-6-8(9)15-10/h4-6H,12H2,1-3H3
InChIKeyQBGDCNSDJNSGJF-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.50
Rot. Bonds2

About 2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine

2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine (PubChem CID 119087334) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine
PubChem CID119087334
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine
SMILESCOc1cccc2sc(C(C)(C)N)nc12
InChIInChI=1S/C11H14N2OS/c1-11(2,12)10-13-9-7(14-3)5-4-6-8(9)15-10/h4-6H,12H2,1-3H3
InChIKeyQBGDCNSDJNSGJF-UHFFFAOYSA-N
XLogP2.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-methoxy-1,3-benzothiazole
CID 18356996
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
S-(2-tert-butyl-1,3-benzothiazol-4-yl)thiohydroxylamine
CID 54163546
2,2,2-trifluoroethyl N-(4-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 52908161
2,4-ditert-butyl-1,3-benzothiazole
CID 150117691
4-tert-butyl-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41347449
2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
CID 82190144
4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 75498214
2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole
CID 16849815
4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
CID 118068407
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol
CID 83384612

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine?
The IUPAC name of 2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine (CID 119087334) is 2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine is COc1cccc2sc(C(C)(C)N)nc12.
What is the InChIKey of 2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine?
The InChIKey is QBGDCNSDJNSGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-11(2,12)10-13-9-7(14-3)5-4-6-8(9)15-10/h4-6H,12H2,1-3H3.
What are the key properties of 2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine?
2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine has a molecular weight of 222.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine is sourced from PubChem (CID 119087334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).