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

C15H17N5O2S — CID 84589047

IUPAC5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nnn(CCc3scnc3C)n2)cc1OC
InChIInChI=1S/C15H17N5O2S/c1-10-14(23-9-16-10)6-7-20-18-15(17-19-20)11-4-5-12(21-2)13(8-11)22-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyUNBRNWQOXCYMMH-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.36
Rot. Bonds6

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

5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 84589047) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID84589047
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nnn(CCc3scnc3C)n2)cc1OC
InChIInChI=1S/C15H17N5O2S/c1-10-14(23-9-16-10)6-7-20-18-15(17-19-20)11-4-5-12(21-2)13(8-11)22-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyUNBRNWQOXCYMMH-UHFFFAOYSA-N
XLogP2.36
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole (CID 84589047) is 5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole is COc1ccc(-c2nnn(CCc3scnc3C)n2)cc1OC.
What is the InChIKey of 5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is UNBRNWQOXCYMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-10-14(23-9-16-10)6-7-20-18-15(17-19-20)11-4-5-12(21-2)13(8-11)22-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole?
5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 331.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 84589047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).