5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine

C15H19ClN2S — CID 63545700

IUPAC5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2sc(NCCC3CCCCC3)nc2c1
InChIInChI=1S/C15H19ClN2S/c16-12-6-7-14-13(10-12)18-15(19-14)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18)
InChIKeyXOGFDQBJMJFCSE-UHFFFAOYSA-N
MW294.85 g/mol
LogP5.33
Rot. Bonds4

About 5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine

5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine (PubChem CID 63545700) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
PubChem CID63545700
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2sc(NCCC3CCCCC3)nc2c1
InChIInChI=1S/C15H19ClN2S/c16-12-6-7-14-13(10-12)18-15(19-14)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18)
InChIKeyXOGFDQBJMJFCSE-UHFFFAOYSA-N
XLogP5.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.85
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine (CID 63545700) is 5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine is Clc1ccc2sc(NCCC3CCCCC3)nc2c1.
What is the InChIKey of 5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is XOGFDQBJMJFCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c16-12-6-7-14-13(10-12)18-15(19-14)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18).
What are the key properties of 5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine?
5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 294.85 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63545700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).