3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine

C11H14N2S — CID 45097023

IUPAC3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine
SMILESCc1nc2ccc(CCCN)cc2s1
InChIInChI=1S/C11H14N2S/c1-8-13-10-5-4-9(3-2-6-12)7-11(10)14-8/h4-5,7H,2-3,6,12H2,1H3
InChIKeyWEYXHDMURCZTAX-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.50
Rot. Bonds3

About 3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine

3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine (PubChem CID 45097023) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine
PubChem CID45097023
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine
SMILESCc1nc2ccc(CCCN)cc2s1
InChIInChI=1S/C11H14N2S/c1-8-13-10-5-4-9(3-2-6-12)7-11(10)14-8/h4-5,7H,2-3,6,12H2,1H3
InChIKeyWEYXHDMURCZTAX-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-1,3-benzothiazol-6-yl)propane-1-thiol
CID 116999846
3-(2-ethyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45095376
N-ethyl-2-(2-methyl-1,3-benzothiazol-6-yl)ethanamine
CID 116999819
1-(2-methyl-1,3-benzothiazol-6-yl)propan-2-one
CID 82609939
3-(1,3-benzothiazol-6-yl)propan-1-amine
CID 69250616
3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine
CID 39107354
N'-(6-decyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 169298591
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine
CID 116993973
3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)methyl]butanenitrile
CID 116999885
2,2-dimethyl-3-(2-methyl-1,3-benzothiazol-6-yl)propanoic acid
CID 117376812
ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
CID 145100782

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine?
The IUPAC name of 3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine (CID 45097023) is 3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine?
The canonical SMILES for 3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine is Cc1nc2ccc(CCCN)cc2s1.
What is the InChIKey of 3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine?
The InChIKey is WEYXHDMURCZTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8-13-10-5-4-9(3-2-6-12)7-11(10)14-8/h4-5,7H,2-3,6,12H2,1H3.
What are the key properties of 3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine?
3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine has a molecular weight of 206.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine is sourced from PubChem (CID 45097023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).