2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine

C16H16N2OS — CID 43450717

IUPAC2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(OCCc3ccccc3)c(N)cc2s1
InChIInChI=1S/C16H16N2OS/c1-11-18-14-10-15(13(17)9-16(14)20-11)19-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8,17H2,1H3
InChIKeyFGIKVMHUZBBAMN-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.81
Rot. Bonds4

About 2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine

2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine (PubChem CID 43450717) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
PubChem CID43450717
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(OCCc3ccccc3)c(N)cc2s1
InChIInChI=1S/C16H16N2OS/c1-11-18-14-10-15(13(17)9-16(14)20-11)19-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8,17H2,1H3
InChIKeyFGIKVMHUZBBAMN-UHFFFAOYSA-N
XLogP3.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine (CID 43450717) is 2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine is Cc1nc2cc(OCCc3ccccc3)c(N)cc2s1.
What is the InChIKey of 2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine?
The InChIKey is FGIKVMHUZBBAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-18-14-10-15(13(17)9-16(14)20-11)19-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine?
2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine has a molecular weight of 284.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43450717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).