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

C14H16FNOS — CID 66059492

IUPAC2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
SMILESCc1nc(CC(CO)Cc2cccc(F)c2)cs1
InChIInChI=1S/C14H16FNOS/c1-10-16-14(9-18-10)7-12(8-17)5-11-3-2-4-13(15)6-11/h2-4,6,9,12,17H,5,7-8H2,1H3
InChIKeyVDBOPBYCBZXCJF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.98
Rot. Bonds5

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

2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol (PubChem CID 66059492) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
PubChem CID66059492
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
SMILESCc1nc(CC(CO)Cc2cccc(F)c2)cs1
InChIInChI=1S/C14H16FNOS/c1-10-16-14(9-18-10)7-12(8-17)5-11-3-2-4-13(15)6-11/h2-4,6,9,12,17H,5,7-8H2,1H3
InChIKeyVDBOPBYCBZXCJF-UHFFFAOYSA-N
XLogP2.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol (CID 66059492) is 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol is Cc1nc(CC(CO)Cc2cccc(F)c2)cs1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The InChIKey is VDBOPBYCBZXCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-10-16-14(9-18-10)7-12(8-17)5-11-3-2-4-13(15)6-11/h2-4,6,9,12,17H,5,7-8H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol is sourced from PubChem (CID 66059492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).