3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol

C16H18F3NO4S — CID 102501941

IUPAC3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCOc1cc(-c2nc(CCCO)c(C(F)(F)F)s2)cc(OC)c1OC
InChIInChI=1S/C16H18F3NO4S/c1-22-11-7-9(8-12(23-2)13(11)24-3)15-20-10(5-4-6-21)14(25-15)16(17,18)19/h7-8,21H,4-6H2,1-3H3
InChIKeyGPDBZTUFDNBJCL-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.78
Rot. Bonds7

About 3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol

3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 102501941) has the molecular formula C16H18F3NO4S and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
PubChem CID102501941
Molecular FormulaC16H18F3NO4S
Molecular Weight377.38 g/mol
Exact Mass377.09
IUPAC Name3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCOc1cc(-c2nc(CCCO)c(C(F)(F)F)s2)cc(OC)c1OC
InChIInChI=1S/C16H18F3NO4S/c1-22-11-7-9(8-12(23-2)13(11)24-3)15-20-10(5-4-6-21)14(25-15)16(17,18)19/h7-8,21H,4-6H2,1-3H3
InChIKeyGPDBZTUFDNBJCL-UHFFFAOYSA-N
XLogP3.78
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol (CID 102501941) is 3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol is COc1cc(-c2nc(CCCO)c(C(F)(F)F)s2)cc(OC)c1OC.
What is the InChIKey of 3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is GPDBZTUFDNBJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO4S/c1-22-11-7-9(8-12(23-2)13(11)24-3)15-20-10(5-4-6-21)14(25-15)16(17,18)19/h7-8,21H,4-6H2,1-3H3.
What are the key properties of 3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol?
3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol has a molecular weight of 377.38 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 102501941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).