2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol

C18H22FN3OS — CID 25197050

IUPAC2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol
SMILESOCC[C@@H]1CSC(c2cc3cc(F)cc(NC4CCCC4)c3[nH]2)=N1
InChIInChI=1S/C18H22FN3OS/c19-12-7-11-8-16(18-21-14(5-6-23)10-24-18)22-17(11)15(9-12)20-13-3-1-2-4-13/h7-9,13-14,20,22-23H,1-6,10H2/t14-/m1/s1
InChIKeyICJKSONIYVQJLC-CQSZACIVSA-N
MW347.46 g/mol
LogP3.91
Rot. Bonds5

About 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol

2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol (PubChem CID 25197050) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol
PubChem CID25197050
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol
SMILESOCC[C@@H]1CSC(c2cc3cc(F)cc(NC4CCCC4)c3[nH]2)=N1
InChIInChI=1S/C18H22FN3OS/c19-12-7-11-8-16(18-21-14(5-6-23)10-24-18)22-17(11)15(9-12)20-13-3-1-2-4-13/h7-9,13-14,20,22-23H,1-6,10H2/t14-/m1/s1
InChIKeyICJKSONIYVQJLC-CQSZACIVSA-N
XLogP3.91
TPSA60.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol 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 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol (CID 25197050) is 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol is OCC[C@@H]1CSC(c2cc3cc(F)cc(NC4CCCC4)c3[nH]2)=N1.
What is the InChIKey of 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The InChIKey is ICJKSONIYVQJLC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22FN3OS/c19-12-7-11-8-16(18-21-14(5-6-23)10-24-18)22-17(11)15(9-12)20-13-3-1-2-4-13/h7-9,13-14,20,22-23H,1-6,10H2/t14-/m1/s1.
What are the key properties of 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol has a molecular weight of 347.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 25197050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).