2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole

C19H16FN5O2S — CID 7614378

IUPAC2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cn3nnc(-c4ccc(F)cc4)n3)cs2)cc1OC
InChIInChI=1S/C19H16FN5O2S/c1-26-16-8-5-13(9-17(16)27-2)19-21-15(11-28-19)10-25-23-18(22-24-25)12-3-6-14(20)7-4-12/h3-9,11H,10H2,1-2H3
InChIKeyLTTZTJRBNZTVNP-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.67
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole

2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole (PubChem CID 7614378) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
PubChem CID7614378
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Name2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cn3nnc(-c4ccc(F)cc4)n3)cs2)cc1OC
InChIInChI=1S/C19H16FN5O2S/c1-26-16-8-5-13(9-17(16)27-2)19-21-15(11-28-19)10-25-23-18(22-24-25)12-3-6-14(20)7-4-12/h3-9,11H,10H2,1-2H3
InChIKeyLTTZTJRBNZTVNP-UHFFFAOYSA-N
XLogP3.67
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole (CID 7614378) is 2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole is COc1ccc(-c2nc(Cn3nnc(-c4ccc(F)cc4)n3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The InChIKey is LTTZTJRBNZTVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-26-16-8-5-13(9-17(16)27-2)19-21-15(11-28-19)10-25-23-18(22-24-25)12-3-6-14(20)7-4-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole has a molecular weight of 397.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 7614378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).