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

C25H24FN3O3S — CID 29138153

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C25H24FN3O3S/c1-31-22-15-18-5-3-2-4-17(18)14-20(22)24(30)29(9-8-28-10-12-32-13-11-28)25-27-21-7-6-19(26)16-23(21)33-25/h2-7,14-16H,8-13H2,1H3
InChIKeyKCQSWYGGFWKJBC-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.58
Rot. Bonds6

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

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide (PubChem CID 29138153) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
PubChem CID29138153
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C25H24FN3O3S/c1-31-22-15-18-5-3-2-4-17(18)14-20(22)24(30)29(9-8-28-10-12-32-13-11-28)25-27-21-7-6-19(26)16-23(21)33-25/h2-7,14-16H,8-13H2,1H3
InChIKeyKCQSWYGGFWKJBC-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-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide (CID 29138153) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide?
The InChIKey is KCQSWYGGFWKJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-31-22-15-18-5-3-2-4-17(18)14-20(22)24(30)29(9-8-28-10-12-32-13-11-28)25-27-21-7-6-19(26)16-23(21)33-25/h2-7,14-16H,8-13H2,1H3.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide?
N-(6-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-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 29138153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).