1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol

C24H23NO2S — CID 15049997

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nc(C)cs1
InChIInChI=1S/C24H23NO2S/c1-3-24(26,23-25-17(2)16-28-23)21-9-6-10-22(14-21)27-15-18-11-12-19-7-4-5-8-20(19)13-18/h4-14,16,26H,3,15H2,1-2H3
InChIKeyDQDPLVXAEUSMTM-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.83
Rot. Bonds6

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

1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol (PubChem CID 15049997) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol
PubChem CID15049997
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nc(C)cs1
InChIInChI=1S/C24H23NO2S/c1-3-24(26,23-25-17(2)16-28-23)21-9-6-10-22(14-21)27-15-18-11-12-19-7-4-5-8-20(19)13-18/h4-14,16,26H,3,15H2,1-2H3
InChIKeyDQDPLVXAEUSMTM-UHFFFAOYSA-N
XLogP5.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol (CID 15049997) is 1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol is CCC(O)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nc(C)cs1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol?
The InChIKey is DQDPLVXAEUSMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-3-24(26,23-25-17(2)16-28-23)21-9-6-10-22(14-21)27-15-18-11-12-19-7-4-5-8-20(19)13-18/h4-14,16,26H,3,15H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol?
1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol has a molecular weight of 389.52 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 15049997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).