N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine

C15H18N2S — CID 114003116

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine
SMILESc1nc2ccc(NCC3CC4CCC3C4)cc2s1
InChIInChI=1S/C15H18N2S/c1-2-11-5-10(1)6-12(11)8-16-13-3-4-14-15(7-13)18-9-17-14/h3-4,7,9-12,16H,1-2,5-6,8H2
InChIKeyKFIGXZXPURTRAD-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.14
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine (PubChem CID 114003116) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine
PubChem CID114003116
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine
SMILESc1nc2ccc(NCC3CC4CCC3C4)cc2s1
InChIInChI=1S/C15H18N2S/c1-2-11-5-10(1)6-12(11)8-16-13-3-4-14-15(7-13)18-9-17-14/h3-4,7,9-12,16H,1-2,5-6,8H2
InChIKeyKFIGXZXPURTRAD-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine (CID 114003116) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine is c1nc2ccc(NCC3CC4CCC3C4)cc2s1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine?
The InChIKey is KFIGXZXPURTRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-11-5-10(1)6-12(11)8-16-13-3-4-14-15(7-13)18-9-17-14/h3-4,7,9-12,16H,1-2,5-6,8H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine has a molecular weight of 258.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 114003116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).