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

C13H16N2OS — CID 82728861

IUPAC5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NC3CCOC3C)nc2c1
InChIInChI=1S/C13H16N2OS/c1-8-3-4-12-11(7-8)15-13(17-12)14-10-5-6-16-9(10)2/h3-4,7,9-10H,5-6H2,1-2H3,(H,14,15)
InChIKeyCUMWXZBCPIWSSH-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.19
Rot. Bonds2

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

5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 82728861) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine
PubChem CID82728861
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NC3CCOC3C)nc2c1
InChIInChI=1S/C13H16N2OS/c1-8-3-4-12-11(7-8)15-13(17-12)14-10-5-6-16-9(10)2/h3-4,7,9-10H,5-6H2,1-2H3,(H,14,15)
InChIKeyCUMWXZBCPIWSSH-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine (CID 82728861) is 5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine is Cc1ccc2sc(NC3CCOC3C)nc2c1.
What is the InChIKey of 5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is CUMWXZBCPIWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-3-4-12-11(7-8)15-13(17-12)14-10-5-6-16-9(10)2/h3-4,7,9-10H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine?
5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82728861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).