[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate

C16H15N3O2S2 — CID 8535499

IUPAC[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C16H15N3O2S2/c1-3-13-14(23-19-18-13)16(20)21-8-12-9-22-15(17-12)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyCIAAJYCRGGZWID-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.89
Rot. Bonds5

About [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate (PubChem CID 8535499) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate
PubChem CID8535499
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C16H15N3O2S2/c1-3-13-14(23-19-18-13)16(20)21-8-12-9-22-15(17-12)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyCIAAJYCRGGZWID-UHFFFAOYSA-N
XLogP3.89
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethylbenzoate
CID 7749255
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735564
4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 24668930
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235569
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-bromobenzoate
CID 7866284
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
CID 75412679
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27195175
ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate
CID 55671121
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519685
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-chlorobenzoate
CID 7860043
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509270
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate (CID 8535499) is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate?
The InChIKey is CIAAJYCRGGZWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-3-13-14(23-19-18-13)16(20)21-8-12-9-22-15(17-12)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate?
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate has a molecular weight of 345.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8535499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).