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

C12H16N2S — CID 79142285

IUPAC2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine
SMILESCc1ccc2nc(CC(C)(C)N)sc2c1
InChIInChI=1S/C12H16N2S/c1-8-4-5-9-10(6-8)15-11(14-9)7-12(2,3)13/h4-6H,7,13H2,1-3H3
InChIKeyHBPGUWNUNIMAMO-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.88
Rot. Bonds2

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

2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine (PubChem CID 79142285) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine
PubChem CID79142285
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine
SMILESCc1ccc2nc(CC(C)(C)N)sc2c1
InChIInChI=1S/C12H16N2S/c1-8-4-5-9-10(6-8)15-11(14-9)7-12(2,3)13/h4-6H,7,13H2,1-3H3
InChIKeyHBPGUWNUNIMAMO-UHFFFAOYSA-N
XLogP2.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
(6-methyl-1,3-benzothiazol-2-yl)methanethiol
CID 137419548
N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 79143288
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
CID 64671247
1-[(6-methyl-1,3-benzothiazol-2-yl)methyl]pyrazol-4-amine
CID 79142451
3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine
CID 79142621
1-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)propan-2-amine
CID 79819169
1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
CID 79528548
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
[4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 79142702

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine (CID 79142285) is 2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine is Cc1ccc2nc(CC(C)(C)N)sc2c1.
What is the InChIKey of 2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine?
The InChIKey is HBPGUWNUNIMAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8-4-5-9-10(6-8)15-11(14-9)7-12(2,3)13/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine?
2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine has a molecular weight of 220.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79142285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).