1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine

C11H14N2OS — CID 63197747

IUPAC1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1nc2ccccc2s1
InChIInChI=1S/C11H14N2OS/c1-14-7-8(12)6-11-13-9-4-2-3-5-10(9)15-11/h2-5,8H,6-7,12H2,1H3
InChIKeyOFRQPKLFZMXVIV-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.81
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine

1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine (PubChem CID 63197747) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
PubChem CID63197747
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1nc2ccccc2s1
InChIInChI=1S/C11H14N2OS/c1-14-7-8(12)6-11-13-9-4-2-3-5-10(9)15-11/h2-5,8H,6-7,12H2,1H3
InChIKeyOFRQPKLFZMXVIV-UHFFFAOYSA-N
XLogP1.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzothiazol-2-yl)-3-propoxypropan-2-amine
CID 79818856
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
1-(1,3-benzothiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169677
1-(1,3-benzothiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148841
[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206383
1-(1,3-benzothiazol-2-yl)-4-phenylbutan-2-amine
CID 43118679
1-(1,3-benzothiazol-2-yl)-3-(2-bromophenyl)propan-2-amine
CID 79819344
1-(1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)propan-2-amine
CID 79818773
1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 79818238
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952
2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 43118621
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1,3-benzothiazole
CID 66459132

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine (CID 63197747) is 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine is COCC(N)Cc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine?
The InChIKey is OFRQPKLFZMXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-14-7-8(12)6-11-13-9-4-2-3-5-10(9)15-11/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine?
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine has a molecular weight of 222.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 63197747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).