6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine

C11H14N2OS — CID 82548705

IUPAC6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(C)c(C)c(OC)cc2s1
InChIInChI=1S/C11H14N2OS/c1-6-7(2)10-9(5-8(6)14-4)15-11(12-3)13-10/h5H,1-4H3,(H,12,13)
InChIKeySNFWFSGYRZHZTN-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.96
Rot. Bonds2

About 6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine

6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine (PubChem CID 82548705) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
PubChem CID82548705
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(C)c(C)c(OC)cc2s1
InChIInChI=1S/C11H14N2OS/c1-6-7(2)10-9(5-8(6)14-4)15-11(12-3)13-10/h5H,1-4H3,(H,12,13)
InChIKeySNFWFSGYRZHZTN-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549421
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549306
7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549451
2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole
CID 150362652
5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710399
6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
CID 82548663
(4-methoxy-6-methyl-1,3-benzothiazol-2-yl)cyanamide
CID 14441934
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 96710360
5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine
CID 82548972
4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 82549373

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine (CID 82548705) is 6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine is CNc1nc2c(C)c(C)c(OC)cc2s1.
What is the InChIKey of 6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine?
The InChIKey is SNFWFSGYRZHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-6-7(2)10-9(5-8(6)14-4)15-11(12-3)13-10/h5H,1-4H3,(H,12,13).
What are the key properties of 6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine?
6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine has a molecular weight of 222.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).