N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide

C26H26FN3O3S — CID 29071618

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C26H26FN3O3S/c1-32-23-16-19-6-3-2-5-18(19)15-21(23)25(31)30(10-4-9-29-11-13-33-14-12-29)26-28-22-8-7-20(27)17-24(22)34-26/h2-3,5-8,15-17H,4,9-14H2,1H3
InChIKeyGIQSWNLKGKMHPM-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.97
Rot. Bonds7

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide (PubChem CID 29071618) has the molecular formula C26H26FN3O3S and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
PubChem CID29071618
Molecular FormulaC26H26FN3O3S
Molecular Weight479.58 g/mol
Exact Mass479.17
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C26H26FN3O3S/c1-32-23-16-19-6-3-2-5-18(19)15-21(23)25(31)30(10-4-9-29-11-13-33-14-12-29)26-28-22-8-7-20(27)17-24(22)34-26/h2-3,5-8,15-17H,4,9-14H2,1H3
InChIKeyGIQSWNLKGKMHPM-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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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide (CID 29071618) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
The InChIKey is GIQSWNLKGKMHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3S/c1-32-23-16-19-6-3-2-5-18(19)15-21(23)25(31)30(10-4-9-29-11-13-33-14-12-29)26-28-22-8-7-20(27)17-24(22)34-26/h2-3,5-8,15-17H,4,9-14H2,1H3.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
N-(6-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-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 29071618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).