6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine

C12H16N2OS — CID 82548822

IUPAC6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(C)cc(OCC)cc2s1
InChIInChI=1S/C12H16N2OS/c1-4-13-12-14-11-8(3)6-9(15-5-2)7-10(11)16-12/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyMFZNQZIQZGWMED-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.44
Rot. Bonds4

About 6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine

6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 82548822) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine
PubChem CID82548822
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(C)cc(OCC)cc2s1
InChIInChI=1S/C12H16N2OS/c1-4-13-12-14-11-8(3)6-9(15-5-2)7-10(11)16-12/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyMFZNQZIQZGWMED-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549380
N-benzyl-4-methyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548811
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
CID 82549644
6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 82549477
N-[6-[(4-ethoxyphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325883
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine
CID 82549434
2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol
CID 605706
4,5,6-triethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 96710391
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
CID 46325595
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 7542324
6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549346

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine (CID 82548822) is 6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine is CCNc1nc2c(C)cc(OCC)cc2s1.
What is the InChIKey of 6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is MFZNQZIQZGWMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-13-12-14-11-8(3)6-9(15-5-2)7-10(11)16-12/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine?
6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).