3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol

C15H15FN4OS — CID 174435475

IUPAC3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESOC(CCc1nc(Cc2ccccc2F)cs1)c1ncn[nH]1
InChIInChI=1S/C15H15FN4OS/c16-12-4-2-1-3-10(12)7-11-8-22-14(19-11)6-5-13(21)15-17-9-18-20-15/h1-4,8-9,13,21H,5-7H2,(H,17,18,20)
InChIKeyXLEKMOWDVDIJLD-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.66
Rot. Bonds6

About 3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol

3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol (PubChem CID 174435475) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
PubChem CID174435475
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESOC(CCc1nc(Cc2ccccc2F)cs1)c1ncn[nH]1
InChIInChI=1S/C15H15FN4OS/c16-12-4-2-1-3-10(12)7-11-8-22-14(19-11)6-5-13(21)15-17-9-18-20-15/h1-4,8-9,13,21H,5-7H2,(H,17,18,20)
InChIKeyXLEKMOWDVDIJLD-UHFFFAOYSA-N
XLogP2.66
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)methyl]-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97319342
2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole
CID 158458323
3-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
CID 69138574
3-[4-[(3-fluorophenyl)methyl]furan-3-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 174449649
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111361625
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111361624
3-[4-(pyridin-2-ylmethyl)-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione
CID 69138550
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 95338902
4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole
CID 63935946
2-fluoro-6-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 106282032
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363109

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The IUPAC name of 3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol (CID 174435475) is 3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The canonical SMILES for 3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol is OC(CCc1nc(Cc2ccccc2F)cs1)c1ncn[nH]1.
What is the InChIKey of 3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The InChIKey is XLEKMOWDVDIJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c16-12-4-2-1-3-10(12)7-11-8-22-14(19-11)6-5-13(21)15-17-9-18-20-15/h1-4,8-9,13,21H,5-7H2,(H,17,18,20).
What are the key properties of 3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol has a molecular weight of 318.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol is sourced from PubChem (CID 174435475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).