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

C18H18N2S — CID 79130669

IUPAC4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NC3CCc4ccccc4C3)nc12
InChIInChI=1S/C18H18N2S/c1-12-5-4-8-16-17(12)20-18(21-16)19-15-10-9-13-6-2-3-7-14(13)11-15/h2-8,15H,9-11H2,1H3,(H,19,20)
InChIKeyWSYYBWWNUKCPQC-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.57
Rot. Bonds2

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

4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 79130669) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine
PubChem CID79130669
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NC3CCc4ccccc4C3)nc12
InChIInChI=1S/C18H18N2S/c1-12-5-4-8-16-17(12)20-18(21-16)19-15-10-9-13-6-2-3-7-14(13)11-15/h2-8,15H,9-11H2,1H3,(H,19,20)
InChIKeyWSYYBWWNUKCPQC-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine (CID 79130669) is 4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine is Cc1cccc2sc(NC3CCc4ccccc4C3)nc12.
What is the InChIKey of 4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is WSYYBWWNUKCPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-5-4-8-16-17(12)20-18(21-16)19-15-10-9-13-6-2-3-7-14(13)11-15/h2-8,15H,9-11H2,1H3,(H,19,20).
What are the key properties of 4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine?
4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 294.42 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79130669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).