1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide

C26H27N3O3S — CID 146346236

IUPAC1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
SMILESNC(=O)c1c(OCCCCN2CCOCC2)cc2ccccc2c1-c1nc2ccccc2s1
InChIInChI=1S/C26H27N3O3S/c27-25(30)24-21(32-14-6-5-11-29-12-15-31-16-13-29)17-18-7-1-2-8-19(18)23(24)26-28-20-9-3-4-10-22(20)33-26/h1-4,7-10,17H,5-6,11-16H2,(H2,27,30)
InChIKeyBYPBXSUPCSXCKE-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.71
Rot. Bonds8

About 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide

1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide (PubChem CID 146346236) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
PubChem CID146346236
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
SMILESNC(=O)c1c(OCCCCN2CCOCC2)cc2ccccc2c1-c1nc2ccccc2s1
InChIInChI=1S/C26H27N3O3S/c27-25(30)24-21(32-14-6-5-11-29-12-15-31-16-13-29)17-18-7-1-2-8-19(18)23(24)26-28-20-9-3-4-10-22(20)33-26/h1-4,7-10,17H,5-6,11-16H2,(H2,27,30)
InChIKeyBYPBXSUPCSXCKE-UHFFFAOYSA-N
XLogP4.71
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 153402720
4-[3-[4-(1,3-benzothiazol-2-yl)-2-nitrophenoxy]propyl]morpholine
CID 141407884
1-dodeca-1,4,6,8,11-pentaen-4-yl-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 146371385
4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid
CID 22682033
2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 57205896
1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide
CID 146371397
5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403663
4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine
CID 71722358
methyl 2-[[3-(4-morpholin-4-ylbutoxy)naphthalene-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 146346240
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 20984124
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide (CID 146346236) is 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide is NC(=O)c1c(OCCCCN2CCOCC2)cc2ccccc2c1-c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide?
The InChIKey is BYPBXSUPCSXCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c27-25(30)24-21(32-14-6-5-11-29-12-15-31-16-13-29)17-18-7-1-2-8-19(18)23(24)26-28-20-9-3-4-10-22(20)33-26/h1-4,7-10,17H,5-6,11-16H2,(H2,27,30).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide?
1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide is sourced from PubChem (CID 146346236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).