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

C25H24FN3O3S — CID 29137728

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C25H24FN3O3S/c1-31-21-16-18-6-3-2-5-17(18)15-19(21)24(30)29(10-9-28-11-13-32-14-12-28)25-27-23-20(26)7-4-8-22(23)33-25/h2-8,15-16H,9-14H2,1H3
InChIKeyBMBWZBZKEKDRNI-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.58
Rot. Bonds6

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide (PubChem CID 29137728) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
PubChem CID29137728
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C25H24FN3O3S/c1-31-21-16-18-6-3-2-5-17(18)15-19(21)24(30)29(10-9-28-11-13-32-14-12-28)25-27-23-20(26)7-4-8-22(23)33-25/h2-8,15-16H,9-14H2,1H3
InChIKeyBMBWZBZKEKDRNI-UHFFFAOYSA-N
XLogP4.58
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide (CID 29137728) is N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide?
The InChIKey is BMBWZBZKEKDRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-31-21-16-18-6-3-2-5-17(18)15-19(21)24(30)29(10-9-28-11-13-32-14-12-28)25-27-23-20(26)7-4-8-22(23)33-25/h2-8,15-16H,9-14H2,1H3.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.58, 6 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-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 29137728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).