1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine

C11H14N2S — CID 84620821

IUPAC1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2cc(C)c(C)cc2s1
InChIInChI=1S/C11H14N2S/c1-7-4-9-10(5-8(7)2)14-11(13-9)6-12-3/h4-5,12H,6H2,1-3H3
InChIKeyAVXNXBMYQFOCQJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.63
Rot. Bonds2

About 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine

1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine (PubChem CID 84620821) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine
PubChem CID84620821
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2cc(C)c(C)cc2s1
InChIInChI=1S/C11H14N2S/c1-7-4-9-10(5-8(7)2)14-11(13-9)6-12-3/h4-5,12H,6H2,1-3H3
InChIKeyAVXNXBMYQFOCQJ-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole
CID 84638397
5,6-dimethyl-1,3-benzothiazole-2-thiolate
CID 86307103
(6-bromo-5-methyl-1,3-benzothiazol-2-yl)methanamine
CID 39106445
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethanone
CID 166523777
5,6-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84632613
5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole
CID 142245671
N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 79143288
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine
CID 83756288
N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81047775
N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine
CID 12741815
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 45496447
3-(6-bromo-5-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107334

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine (CID 84620821) is 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine is CNCc1nc2cc(C)c(C)cc2s1.
What is the InChIKey of 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine?
The InChIKey is AVXNXBMYQFOCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-7-4-9-10(5-8(7)2)14-11(13-9)6-12-3/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine?
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine has a molecular weight of 206.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84620821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).