N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide

C20H17N3O2S — CID 91680677

IUPACN-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
SMILESCCOc1cc(NC(=O)c2cccc3ccccc23)cc2sc(N)nc12
InChIInChI=1S/C20H17N3O2S/c1-2-25-16-10-13(11-17-18(16)23-20(21)26-17)22-19(24)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3,(H2,21,23)(H,22,24)
InChIKeyLBUWBBGKPCADFV-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.68
Rot. Bonds4

About N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide

N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide (PubChem CID 91680677) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
PubChem CID91680677
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
SMILESCCOc1cc(NC(=O)c2cccc3ccccc23)cc2sc(N)nc12
InChIInChI=1S/C20H17N3O2S/c1-2-25-16-10-13(11-17-18(16)23-20(21)26-17)22-19(24)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3,(H2,21,23)(H,22,24)
InChIKeyLBUWBBGKPCADFV-UHFFFAOYSA-N
XLogP4.68
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 91680637
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide
CID 91680546
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 91680626
N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680673
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide
CID 122355985
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 91680783
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide (CID 91680677) is N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide is CCOc1cc(NC(=O)c2cccc3ccccc23)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The InChIKey is LBUWBBGKPCADFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-2-25-16-10-13(11-17-18(16)23-20(21)26-17)22-19(24)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 91680677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).