N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide

C26H26FN3O3S — CID 25305246

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C26H26FN3O3S/c1-32-22-17-19-7-3-2-6-18(19)16-20(22)25(31)30(11-5-10-29-12-14-33-15-13-29)26-28-24-21(27)8-4-9-23(24)34-26/h2-4,6-9,16-17H,5,10-15H2,1H3
InChIKeyISPLTAVTKZKGBH-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.97
Rot. Bonds7

About N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide (PubChem CID 25305246) has the molecular formula C26H26FN3O3S and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
PubChem CID25305246
Molecular FormulaC26H26FN3O3S
Molecular Weight479.58 g/mol
Exact Mass479.17
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C26H26FN3O3S/c1-32-22-17-19-7-3-2-6-18(19)16-20(22)25(31)30(11-5-10-29-12-14-33-15-13-29)26-28-24-21(27)8-4-9-23(24)34-26/h2-4,6-9,16-17H,5,10-15H2,1H3
InChIKeyISPLTAVTKZKGBH-UHFFFAOYSA-N
XLogP4.97
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(Dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-YL)naphthalene-2-carboxamide hydrochloride
CID 24761864
N-[2-(Diethylamino)ethyl]-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-YL)naphthalene-2-carboxamide hydrochloride
CID 24761870
(4-(6-Ethoxybenzo[d]thiazol-2-yl)piperazin-1-yl)(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 7292571
(4-(4,6-Difluorobenzo[d]thiazol-2-yl)piperazin-1-yl)(3-methoxynaphthalen-2-yl)methanone
CID 16032649
(4-(4-Fluorobenzo[d]thiazol-2-yl)piperazin-1-yl)(3-methoxynaphthalen-2-yl)methanone
CID 16032795
N-(2-(dimethylamino)ethyl)-N-(4-ethoxybenzo[d]thiazol-2-yl)-3-methoxy-2-naphthamide hydrochloride
CID 18563795
N-(4,6-difluorobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)-3-methoxy-2-naphthamide hydrochloride
CID 18563894
N-(4,7-Dimethoxy-1,3-benzothiazol-2-YL)-N-[2-(dimethylamino)ethyl]-3-methoxynaphthalene-2-carboxamide hydrochloride
CID 24761851
N-[2-(Dimethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-YL)naphthalene-2-carboxamide hydrochloride
CID 24761875
N-[2-(Dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-YL)-5,6,7,8-tetrahydronaphthalene-2-carboxamide hydrochloride
CID 24892179
N-(2-(diethylamino)ethyl)-N-(4-methoxybenzo[d]thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide hydrochloride
CID 44925940
N-[2-(Dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-YL)-3-methoxynaphthalene-2-carboxamide hydrochloride
CID 24761837

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide (CID 25305246) is N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
The InChIKey is ISPLTAVTKZKGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3S/c1-32-22-17-19-7-3-2-6-18(19)16-20(22)25(31)30(11-5-10-29-12-14-33-15-13-29)26-28-24-21(27)8-4-9-23(24)34-26/h2-4,6-9,16-17H,5,10-15H2,1H3.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 25305246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).