N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine

C15H20N2OS — CID 79146693

IUPACN-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCCOC3CCCC3)nc12
InChIInChI=1S/C15H20N2OS/c1-11-5-4-8-13-14(11)17-15(19-13)16-9-10-18-12-6-2-3-7-12/h4-5,8,12H,2-3,6-7,9-10H2,1H3,(H,16,17)
InChIKeyHKIMKNPQOIRNPC-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.98
Rot. Bonds5

About N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine

N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 79146693) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID79146693
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCCOC3CCCC3)nc12
InChIInChI=1S/C15H20N2OS/c1-11-5-4-8-13-14(11)17-15(19-13)16-9-10-18-12-6-2-3-7-12/h4-5,8,12H,2-3,6-7,9-10H2,1H3,(H,16,17)
InChIKeyHKIMKNPQOIRNPC-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.98
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 N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine (CID 79146693) is N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine is Cc1cccc2sc(NCCOC3CCCC3)nc12.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is HKIMKNPQOIRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-5-4-8-13-14(11)17-15(19-13)16-9-10-18-12-6-2-3-7-12/h4-5,8,12H,2-3,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine?
N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 276.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79146693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).