2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C16H18N6O3S2 — CID 645265

IUPAC2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C16H18N6O3S2/c1-9-10(2)27-15(17-9)18-14(23)8-26-16-19-20-21-22(16)12-7-11(24-3)5-6-13(12)25-4/h5-7H,8H2,1-4H3,(H,17,18,23)
InChIKeyXZHWENZYYHAXPJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.48
Rot. Bonds7

About 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 645265) has the molecular formula C16H18N6O3S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID645265
Molecular FormulaC16H18N6O3S2
Molecular Weight406.49 g/mol
Exact Mass406.09
IUPAC Name2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C16H18N6O3S2/c1-9-10(2)27-15(17-9)18-14(23)8-26-16-19-20-21-22(16)12-7-11(24-3)5-6-13(12)25-4/h5-7H,8H2,1-4H3,(H,17,18,23)
InChIKeyXZHWENZYYHAXPJ-UHFFFAOYSA-N
XLogP2.48
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 645265) is 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2nc(C)c(C)s2)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XZHWENZYYHAXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S2/c1-9-10(2)27-15(17-9)18-14(23)8-26-16-19-20-21-22(16)12-7-11(24-3)5-6-13(12)25-4/h5-7H,8H2,1-4H3,(H,17,18,23).
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 645265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).