1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol

C16H19NO3S — CID 67757473

IUPAC1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol
SMILESCOc1nc(C=Cc2ccccc2OCC(C)O)c(C)s1
InChIInChI=1S/C16H19NO3S/c1-11(18)10-20-15-7-5-4-6-13(15)8-9-14-12(2)21-16(17-14)19-3/h4-9,11,18H,10H2,1-3H3
InChIKeyXEIVSFOKTRPPHD-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.39
Rot. Bonds6

About 1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol

1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol (PubChem CID 67757473) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol
PubChem CID67757473
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol
SMILESCOc1nc(C=Cc2ccccc2OCC(C)O)c(C)s1
InChIInChI=1S/C16H19NO3S/c1-11(18)10-20-15-7-5-4-6-13(15)8-9-14-12(2)21-16(17-14)19-3/h4-9,11,18H,10H2,1-3H3
InChIKeyXEIVSFOKTRPPHD-UHFFFAOYSA-N
XLogP3.39
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol (CID 67757473) is 1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol is COc1nc(C=Cc2ccccc2OCC(C)O)c(C)s1.
What is the InChIKey of 1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol?
The InChIKey is XEIVSFOKTRPPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11(18)10-20-15-7-5-4-6-13(15)8-9-14-12(2)21-16(17-14)19-3/h4-9,11,18H,10H2,1-3H3.
What are the key properties of 1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol?
1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol has a molecular weight of 305.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxy-5-methyl-1,3-thiazol-4-yl)ethenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 67757473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).