6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine

C11H13ClN2OS — CID 82549477

IUPAC6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCOCCNc1nc2c(C)cc(Cl)cc2s1
InChIInChI=1S/C11H13ClN2OS/c1-7-5-8(12)6-9-10(7)14-11(16-9)13-3-4-15-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyFRQUZIRHQQCFPT-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.32
Rot. Bonds4

About 6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine

6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 82549477) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID82549477
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCOCCNc1nc2c(C)cc(Cl)cc2s1
InChIInChI=1S/C11H13ClN2OS/c1-7-5-8(12)6-9-10(7)14-11(16-9)13-3-4-15-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyFRQUZIRHQQCFPT-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine (CID 82549477) is 6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine is COCCNc1nc2c(C)cc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is FRQUZIRHQQCFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-7-5-8(12)6-9-10(7)14-11(16-9)13-3-4-15-2/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine?
6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 256.76 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).