5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide

C26H25FN4O3S — CID 155146736

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NCc2cc(F)ccc2OC2CCCC2)cc1-c1ccc2nc(N)sc2c1
InChIInChI=1S/C26H25FN4O3S/c1-33-25-20(15-6-8-21-23(12-15)35-26(28)31-21)11-17(14-30-25)24(32)29-13-16-10-18(27)7-9-22(16)34-19-4-2-3-5-19/h6-12,14,19H,2-5,13H2,1H3,(H2,28,31)(H,29,32)
InChIKeyVIDPJXXBMSXGTF-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.34
Rot. Bonds7

About 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide

5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide (PubChem CID 155146736) has the molecular formula C26H25FN4O3S and a molecular weight of 492.58 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide
PubChem CID155146736
Molecular FormulaC26H25FN4O3S
Molecular Weight492.58 g/mol
Exact Mass492.16
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NCc2cc(F)ccc2OC2CCCC2)cc1-c1ccc2nc(N)sc2c1
InChIInChI=1S/C26H25FN4O3S/c1-33-25-20(15-6-8-21-23(12-15)35-26(28)31-21)11-17(14-30-25)24(32)29-13-16-10-18(27)7-9-22(16)34-19-4-2-3-5-19/h6-12,14,19H,2-5,13H2,1H3,(H2,28,31)(H,29,32)
InChIKeyVIDPJXXBMSXGTF-UHFFFAOYSA-N
XLogP5.34
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide (CID 155146736) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide is COc1ncc(C(=O)NCc2cc(F)ccc2OC2CCCC2)cc1-c1ccc2nc(N)sc2c1.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is VIDPJXXBMSXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3S/c1-33-25-20(15-6-8-21-23(12-15)35-26(28)31-21)11-17(14-30-25)24(32)29-13-16-10-18(27)7-9-22(16)34-19-4-2-3-5-19/h6-12,14,19H,2-5,13H2,1H3,(H2,28,31)(H,29,32).
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide?
5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155146736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).