2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide

C16H14N4O2S2 — CID 144760817

IUPAC2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nsc(NC(=O)c2csc(-c3cc4c(cc3C)OCC4)n2)n1
InChIInChI=1S/C16H14N4O2S2/c1-8-5-13-10(3-4-22-13)6-11(8)15-18-12(7-23-15)14(21)19-16-17-9(2)20-24-16/h5-7H,3-4H2,1-2H3,(H,17,19,20,21)
InChIKeyZSTKFRTWRDEQBF-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.47
Rot. Bonds3

About 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide

2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 144760817) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID144760817
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC Name2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nsc(NC(=O)c2csc(-c3cc4c(cc3C)OCC4)n2)n1
InChIInChI=1S/C16H14N4O2S2/c1-8-5-13-10(3-4-22-13)6-11(8)15-18-12(7-23-15)14(21)19-16-17-9(2)20-24-16/h5-7H,3-4H2,1-2H3,(H,17,19,20,21)
InChIKeyZSTKFRTWRDEQBF-UHFFFAOYSA-N
XLogP3.47
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide (CID 144760817) is 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide is Cc1nsc(NC(=O)c2csc(-c3cc4c(cc3C)OCC4)n2)n1.
What is the InChIKey of 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZSTKFRTWRDEQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c1-8-5-13-10(3-4-22-13)6-11(8)15-18-12(7-23-15)14(21)19-16-17-9(2)20-24-16/h5-7H,3-4H2,1-2H3,(H,17,19,20,21).
What are the key properties of 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide?
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 144760817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).