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

C18H22FN3O2S — CID 59543039

IUPAC2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol
SMILESOCC[C@@H]1CSC(c2cc3cc(F)cc(NC4CCOCC4)c3[nH]2)=N1
InChIInChI=1S/C18H22FN3O2S/c19-12-7-11-8-16(18-21-14(1-4-23)10-25-18)22-17(11)15(9-12)20-13-2-5-24-6-3-13/h7-9,13-14,20,22-23H,1-6,10H2/t14-/m1/s1
InChIKeyWCZBLXULYUFRIF-CQSZACIVSA-N
MW363.46 g/mol
LogP3.14
Rot. Bonds5

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

2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol (PubChem CID 59543039) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol
PubChem CID59543039
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC Name2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol
SMILESOCC[C@@H]1CSC(c2cc3cc(F)cc(NC4CCOCC4)c3[nH]2)=N1
InChIInChI=1S/C18H22FN3O2S/c19-12-7-11-8-16(18-21-14(1-4-23)10-25-18)22-17(11)15(9-12)20-13-2-5-24-6-3-13/h7-9,13-14,20,22-23H,1-6,10H2/t14-/m1/s1
InChIKeyWCZBLXULYUFRIF-CQSZACIVSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol (CID 59543039) is 2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol is OCC[C@@H]1CSC(c2cc3cc(F)cc(NC4CCOCC4)c3[nH]2)=N1.
What is the InChIKey of 2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The InChIKey is WCZBLXULYUFRIF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c19-12-7-11-8-16(18-21-14(1-4-23)10-25-18)22-17(11)15(9-12)20-13-2-5-24-6-3-13/h7-9,13-14,20,22-23H,1-6,10H2/t14-/m1/s1.
What are the key properties of 2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol has a molecular weight of 363.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 59543039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).