N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide

C26H24N4O3S — CID 30461966

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide
SMILESCCOc1cccc2sc(N(CCn3cccn3)C(=O)c3cc4ccccc4cc3OC)nc12
InChIInChI=1S/C26H24N4O3S/c1-3-33-21-10-6-11-23-24(21)28-26(34-23)30(15-14-29-13-7-12-27-29)25(31)20-16-18-8-4-5-9-19(18)17-22(20)32-2/h4-13,16-17H,3,14-15H2,1-2H3
InChIKeyHBBOBXPYFKOIFD-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.40
Rot. Bonds8

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide (PubChem CID 30461966) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide
PubChem CID30461966
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide
SMILESCCOc1cccc2sc(N(CCn3cccn3)C(=O)c3cc4ccccc4cc3OC)nc12
InChIInChI=1S/C26H24N4O3S/c1-3-33-21-10-6-11-23-24(21)28-26(34-23)30(15-14-29-13-7-12-27-29)25(31)20-16-18-8-4-5-9-19(18)17-22(20)32-2/h4-13,16-17H,3,14-15H2,1-2H3
InChIKeyHBBOBXPYFKOIFD-UHFFFAOYSA-N
XLogP5.40
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
CID 30461854
2,4-dichloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 30461910
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 30461951
2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30461812
N-(1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 30460139
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 7508013
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide;hydrochloride
CID 44930384
N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 44925859
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 7508018
N-(4-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-2-ylmethyl)naphthalene-2-carboxamide
CID 41055540
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride
CID 44932961
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137576

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide (CID 30461966) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide is CCOc1cccc2sc(N(CCn3cccn3)C(=O)c3cc4ccccc4cc3OC)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide?
The InChIKey is HBBOBXPYFKOIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-3-33-21-10-6-11-23-24(21)28-26(34-23)30(15-14-29-13-7-12-27-29)25(31)20-16-18-8-4-5-9-19(18)17-22(20)32-2/h4-13,16-17H,3,14-15H2,1-2H3.
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 30461966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).