N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C17H16N2S — CID 787714

IUPACN-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESc1ccc2c(Nc3nc4c(s3)CCCC4)cccc2c1
InChIInChI=1S/C17H16N2S/c1-2-8-13-12(6-1)7-5-10-14(13)18-17-19-15-9-3-4-11-16(15)20-17/h1-2,5-8,10H,3-4,9,11H2,(H,18,19)
InChIKeyFDAKNCSBKMVZJD-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.92
Rot. Bonds2

About N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 787714) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID787714
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC NameN-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESc1ccc2c(Nc3nc4c(s3)CCCC4)cccc2c1
InChIInChI=1S/C17H16N2S/c1-2-8-13-12(6-1)7-5-10-14(13)18-17-19-15-9-3-4-11-16(15)20-17/h1-2,5-8,10H,3-4,9,11H2,(H,18,19)
InChIKeyFDAKNCSBKMVZJD-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 787714) is N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is c1ccc2c(Nc3nc4c(s3)CCCC4)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is FDAKNCSBKMVZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-2-8-13-12(6-1)7-5-10-14(13)18-17-19-15-9-3-4-11-16(15)20-17/h1-2,5-8,10H,3-4,9,11H2,(H,18,19).
What are the key properties of N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 787714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).