1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol

C14H18FN3OS — CID 66053829

IUPAC1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCCn1ncnc1CC(O)CSc1ccccc1F
InChIInChI=1S/C14H18FN3OS/c1-2-7-18-14(16-10-17-18)8-11(19)9-20-13-6-4-3-5-12(13)15/h3-6,10-11,19H,2,7-9H2,1H3
InChIKeyDKCZZDUEAPGCPU-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.52
Rot. Bonds7

About 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol

1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 66053829) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID66053829
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCCn1ncnc1CC(O)CSc1ccccc1F
InChIInChI=1S/C14H18FN3OS/c1-2-7-18-14(16-10-17-18)8-11(19)9-20-13-6-4-3-5-12(13)15/h3-6,10-11,19H,2,7-9H2,1H3
InChIKeyDKCZZDUEAPGCPU-UHFFFAOYSA-N
XLogP2.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-Fluorophenyl)sulfonylmethyl]-1-propyl-1,2,4-triazole
CID 65617010
1-Ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,2,4-triazole
CID 65617214
5-[(2-Fluorophenyl)sulfinylmethyl]-1-propyl-1,2,4-triazole
CID 65617215
5-[(2-Fluorophenyl)sulfinylmethyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 65617421
5-[(4-Fluorophenyl)sulfonylmethyl]-1-propyl-1,2,4-triazole
CID 65617622
1-Ethyl-5-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-triazole
CID 65617821
5-[(4-Fluorophenyl)sulfinylmethyl]-1-propyl-1,2,4-triazole
CID 65617822
5-[(4-Fluorophenyl)sulfinylmethyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 65618024
1-(2-Ethyl-1,2,4-triazol-3-yl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66051311
1-(2-Fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 66051312
1-(2-Fluorophenyl)sulfanyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66051712
1-(2-Ethyl-1,2,4-triazol-3-yl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66051920

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol (CID 66053829) is 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol is CCCn1ncnc1CC(O)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is DKCZZDUEAPGCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-2-7-18-14(16-10-17-18)8-11(19)9-20-13-6-4-3-5-12(13)15/h3-6,10-11,19H,2,7-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol?
1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 295.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 66053829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).