[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate

C29H26FN5O5S — CID 134182289

IUPAC[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate
SMILESCOc1ccc(NC(=O)O[C@@H]2CCC[C@@H]2Oc2cc3sc(-c4cc(C)cc5nc(OC)cnc45)nc3cc2F)nc1
InChIInChI=1S/C29H26FN5O5S/c1-15-9-17(27-20(10-15)33-26(38-3)14-32-27)28-34-19-11-18(30)23(12-24(19)41-28)39-21-5-4-6-22(21)40-29(36)35-25-8-7-16(37-2)13-31-25/h7-14,21-22H,4-6H2,1-3H3,(H,31,35,36)/t21-,22+/m0/s1
InChIKeyIBOSIFPTLHLVET-FCHUYYIVSA-N
MW575.62 g/mol
LogP6.31
Rot. Bonds7

About [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate

[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate (PubChem CID 134182289) has the molecular formula C29H26FN5O5S and a molecular weight of 575.62 g/mol. Its IUPAC name is [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate.

Molecular Properties

Compound Name[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate
PubChem CID134182289
Molecular FormulaC29H26FN5O5S
Molecular Weight575.62 g/mol
Exact Mass575.16
IUPAC Name[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate
SMILESCOc1ccc(NC(=O)O[C@@H]2CCC[C@@H]2Oc2cc3sc(-c4cc(C)cc5nc(OC)cnc45)nc3cc2F)nc1
InChIInChI=1S/C29H26FN5O5S/c1-15-9-17(27-20(10-15)33-26(38-3)14-32-27)28-34-19-11-18(30)23(12-24(19)41-28)39-21-5-4-6-22(21)40-29(36)35-25-8-7-16(37-2)13-31-25/h7-14,21-22H,4-6H2,1-3H3,(H,31,35,36)/t21-,22+/m0/s1
InChIKeyIBOSIFPTLHLVET-FCHUYYIVSA-N
XLogP6.31
TPSA117.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.62
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate 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

US10730868, Ex. No. 68
CID 134182320
US10730868, Ex. No. 102
CID 134182325
US10730868, Ex. No. 66
CID 134182432
US10730868, Ex. No. 15
CID 134182455
US10730868, Ex. No. 19
CID 134182458
Rac-cis-2-((5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)benzo[d]thiazol-6-yl)oxy) cyclobutyl (2-methylpyrimidin-5-yl)carbamate
CID 134182464
US10730868, Ex. No. 73
CID 134182541
US10730868, Ex. No. 6
CID 139548257
US10730868, Ex. No. 3
CID 139548326
US10730868, Ex. No. 7
CID 146555094
[(1S,5R)-5-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]-2,2-dimethylcyclopentyl] N-(2-methylpyrimidin-4-yl)carbamate
CID 162646586
US10730868, Ex. No. 18
CID 134182069

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate?
The IUPAC name of [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate (CID 134182289) is [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate.
What is the SMILES notation for [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate?
The canonical SMILES for [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate is COc1ccc(NC(=O)O[C@@H]2CCC[C@@H]2Oc2cc3sc(-c4cc(C)cc5nc(OC)cnc45)nc3cc2F)nc1.
What is the InChIKey of [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate?
The InChIKey is IBOSIFPTLHLVET-FCHUYYIVSA-N. The full InChI is InChI=1S/C29H26FN5O5S/c1-15-9-17(27-20(10-15)33-26(38-3)14-32-27)28-34-19-11-18(30)23(12-24(19)41-28)39-21-5-4-6-22(21)40-29(36)35-25-8-7-16(37-2)13-31-25/h7-14,21-22H,4-6H2,1-3H3,(H,31,35,36)/t21-,22+/m0/s1.
What are the key properties of [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate?
[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate has a molecular weight of 575.62 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclopentyl] N-(5-methoxy-2-pyridinyl)carbamate is sourced from PubChem (CID 134182289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).