(1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol

C17H19FN4OS — CID 166559916

IUPAC(1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol
SMILESCCc1cc(Cc2nn(C)nc2-c2ccc(F)cc2[C@@H](C)O)ns1
InChIInChI=1S/C17H19FN4OS/c1-4-13-8-12(21-24-13)9-16-17(20-22(3)19-16)14-6-5-11(18)7-15(14)10(2)23/h5-8,10,23H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyWRSJHMVUILKGJF-SNVBAGLBSA-N
MW346.43 g/mol
LogP3.28
Rot. Bonds5

About (1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol

(1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol (PubChem CID 166559916) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is (1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol
PubChem CID166559916
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name(1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol
SMILESCCc1cc(Cc2nn(C)nc2-c2ccc(F)cc2[C@@H](C)O)ns1
InChIInChI=1S/C17H19FN4OS/c1-4-13-8-12(21-24-13)9-16-17(20-22(3)19-16)14-6-5-11(18)7-15(14)10(2)23/h5-8,10,23H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyWRSJHMVUILKGJF-SNVBAGLBSA-N
XLogP3.28
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol
CID 166560073
(1R)-1-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol
CID 170973385
(1R)-1-[2-[5-[[3-(cyclopropylmethyl)-3H-pyrazol-5-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol
CID 172476211

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol (CID 166559916) is (1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol is CCc1cc(Cc2nn(C)nc2-c2ccc(F)cc2[C@@H](C)O)ns1.
What is the InChIKey of (1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol?
The InChIKey is WRSJHMVUILKGJF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-4-13-8-12(21-24-13)9-16-17(20-22(3)19-16)14-6-5-11(18)7-15(14)10(2)23/h5-8,10,23H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol has a molecular weight of 346.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 166559916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).