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

C27H27FN4O3S — CID 155146708

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OCC1CCCC1
InChIInChI=1S/C27H27FN4O3S/c1-34-26-19(11-18(13-31-26)17-9-10-22-24(12-17)36-27(29)32-22)25(33)30-14-20-21(28)7-4-8-23(20)35-15-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6,14-15H2,1H3,(H2,29,32)(H,30,33)
InChIKeyLKDYQPGOUVESCR-UHFFFAOYSA-N
MW506.60 g/mol
LogP5.59
Rot. Bonds8

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

5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 155146708) has the molecular formula C27H27FN4O3S and a molecular weight of 506.60 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
PubChem CID155146708
Molecular FormulaC27H27FN4O3S
Molecular Weight506.60 g/mol
Exact Mass506.18
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OCC1CCCC1
InChIInChI=1S/C27H27FN4O3S/c1-34-26-19(11-18(13-31-26)17-9-10-22-24(12-17)36-27(29)32-22)25(33)30-14-20-21(28)7-4-8-23(20)35-15-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6,14-15H2,1H3,(H2,29,32)(H,30,33)
InChIKeyLKDYQPGOUVESCR-UHFFFAOYSA-N
XLogP5.59
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-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-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 155146708) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OCC1CCCC1.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is LKDYQPGOUVESCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3S/c1-34-26-19(11-18(13-31-26)17-9-10-22-24(12-17)36-27(29)32-22)25(33)30-14-20-21(28)7-4-8-23(20)35-15-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6,14-15H2,1H3,(H2,29,32)(H,30,33).
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?
5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 506.60 g/mol, XLogP of 5.59, 8 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-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155146708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).