N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine

C16H18N2S — CID 43780745

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCC3CC4C=CC3C4)cc2s1
InChIInChI=1S/C16H18N2S/c1-10-18-15-5-4-14(8-16(15)19-10)17-9-13-7-11-2-3-12(13)6-11/h2-5,8,11-13,17H,6-7,9H2,1H3
InChIKeyMJAVDCYRKKFBHP-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.23
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43780745) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43780745
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCC3CC4C=CC3C4)cc2s1
InChIInChI=1S/C16H18N2S/c1-10-18-15-5-4-14(8-16(15)19-10)17-9-13-7-11-2-3-12(13)6-11/h2-5,8,11-13,17H,6-7,9H2,1H3
InChIKeyMJAVDCYRKKFBHP-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine (CID 43780745) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(NCC3CC4C=CC3C4)cc2s1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is MJAVDCYRKKFBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-10-18-15-5-4-14(8-16(15)19-10)17-9-13-7-11-2-3-12(13)6-11/h2-5,8,11-13,17H,6-7,9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 270.40 g/mol, XLogP of 4.23, 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]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43780745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).