2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine

C12H16N2S — CID 83889724

IUPAC2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine
SMILESCc1nc2cc(CC(C)CN)ccc2s1
InChIInChI=1S/C12H16N2S/c1-8(7-13)5-10-3-4-12-11(6-10)14-9(2)15-12/h3-4,6,8H,5,7,13H2,1-2H3
InChIKeyCANWYPQANNGTLK-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine

2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine (PubChem CID 83889724) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine
PubChem CID83889724
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine
SMILESCc1nc2cc(CC(C)CN)ccc2s1
InChIInChI=1S/C12H16N2S/c1-8(7-13)5-10-3-4-12-11(6-10)14-9(2)15-12/h3-4,6,8H,5,7,13H2,1-2H3
InChIKeyCANWYPQANNGTLK-UHFFFAOYSA-N
XLogP2.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-2-methyl-1,3-benzothiazole
CID 2315866
ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine
CID 162358300
5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole
CID 134533017
3-(2-methyl-1,3-benzothiazol-5-yl)propanoic acid
CID 82286525
3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)methyl]butanenitrile
CID 116999885
2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole
CID 139783415
5-(2-methylpropyl)-2-propan-2-ylsulfanyl-1,3-benzothiazole
CID 166999244
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylpropan-1-amine
CID 116884822
5-(2-methylpropyl)-2-methylsulfonyl-1,3-benzothiazole
CID 167214872
4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine (CID 83889724) is 2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine is Cc1nc2cc(CC(C)CN)ccc2s1.
What is the InChIKey of 2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine?
The InChIKey is CANWYPQANNGTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8(7-13)5-10-3-4-12-11(6-10)14-9(2)15-12/h3-4,6,8H,5,7,13H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine?
2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine has a molecular weight of 220.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)propan-1-amine is sourced from PubChem (CID 83889724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).