N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C20H20N2O2S — CID 3533867

IUPACN-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc3c(c1)CCCC3)n2C
InChIInChI=1S/C20H20N2O2S/c1-22-17-10-9-16(24-2)12-18(17)25-20(22)21-19(23)15-8-7-13-5-3-4-6-14(13)11-15/h7-12H,3-6H2,1-2H3/b21-20-
InChIKeyKPNNXIHIIXLYTN-MRCUWXFGSA-N
MW352.46 g/mol
LogP3.87
Rot. Bonds2

About N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 3533867) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID3533867
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc3c(c1)CCCC3)n2C
InChIInChI=1S/C20H20N2O2S/c1-22-17-10-9-16(24-2)12-18(17)25-20(22)21-19(23)15-8-7-13-5-3-4-6-14(13)11-15/h7-12H,3-6H2,1-2H3/b21-20-
InChIKeyKPNNXIHIIXLYTN-MRCUWXFGSA-N
XLogP3.87
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 3533867) is N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is COc1ccc2c(c1)s/c(=N\C(=O)c1ccc3c(c1)CCCC3)n2C.
What is the InChIKey of N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KPNNXIHIIXLYTN-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-22-17-10-9-16(24-2)12-18(17)25-20(22)21-19(23)15-8-7-13-5-3-4-6-14(13)11-15/h7-12H,3-6H2,1-2H3/b21-20-.
What are the key properties of N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 3533867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).