3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole

C20H19N5O3S — CID 90771729

IUPAC3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
SMILESCOc1cc(-c2cc(-c3ccc(-c4nnnn4C)cc3)ns2)cc(OC)c1OC
InChIInChI=1S/C20H19N5O3S/c1-25-20(21-23-24-25)13-7-5-12(6-8-13)15-11-18(29-22-15)14-9-16(26-2)19(28-4)17(10-14)27-3/h5-11H,1-4H3
InChIKeyMZOVGYATMNQQHN-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.69
Rot. Bonds6

About 3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole

3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole (PubChem CID 90771729) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole.

Molecular Properties

Compound Name3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
PubChem CID90771729
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
SMILESCOc1cc(-c2cc(-c3ccc(-c4nnnn4C)cc3)ns2)cc(OC)c1OC
InChIInChI=1S/C20H19N5O3S/c1-25-20(21-23-24-25)13-7-5-12(6-8-13)15-11-18(29-22-15)14-9-16(26-2)19(28-4)17(10-14)27-3/h5-11H,1-4H3
InChIKeyMZOVGYATMNQQHN-UHFFFAOYSA-N
XLogP3.69
TPSA84.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
The IUPAC name of 3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole (CID 90771729) is 3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole.
What is the SMILES notation for 3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
The canonical SMILES for 3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole is COc1cc(-c2cc(-c3ccc(-c4nnnn4C)cc3)ns2)cc(OC)c1OC.
What is the InChIKey of 3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
The InChIKey is MZOVGYATMNQQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-25-20(21-23-24-25)13-7-5-12(6-8-13)15-11-18(29-22-15)14-9-16(26-2)19(28-4)17(10-14)27-3/h5-11H,1-4H3.
What are the key properties of 3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole has a molecular weight of 409.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole is sourced from PubChem (CID 90771729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).