2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol

C17H16FN3O2S — CID 136501043

IUPAC2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol
SMILESCOc1cc(-c2sc(N[C@@H](C)c3ccccc3F)nc2O)ccn1
InChIInChI=1S/C17H16FN3O2S/c1-10(12-5-3-4-6-13(12)18)20-17-21-16(22)15(24-17)11-7-8-19-14(9-11)23-2/h3-10,22H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyYKXOUGDJWORUHT-JTQLQIEISA-N
MW345.40 g/mol
LogP4.23
Rot. Bonds5

About 2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol

2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol (PubChem CID 136501043) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol
PubChem CID136501043
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol
SMILESCOc1cc(-c2sc(N[C@@H](C)c3ccccc3F)nc2O)ccn1
InChIInChI=1S/C17H16FN3O2S/c1-10(12-5-3-4-6-13(12)18)20-17-21-16(22)15(24-17)11-7-8-19-14(9-11)23-2/h3-10,22H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyYKXOUGDJWORUHT-JTQLQIEISA-N
XLogP4.23
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol (CID 136501043) is 2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol is COc1cc(-c2sc(N[C@@H](C)c3ccccc3F)nc2O)ccn1.
What is the InChIKey of 2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol?
The InChIKey is YKXOUGDJWORUHT-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-10(12-5-3-4-6-13(12)18)20-17-21-16(22)15(24-17)11-7-8-19-14(9-11)23-2/h3-10,22H,1-2H3,(H,20,21)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol?
2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol has a molecular weight of 345.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 136501043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).