3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C16H16N2O3S — CID 2536951

IUPAC3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)OCc1c(C(=O)Nc2nccs2)oc2ccccc12
InChIInChI=1S/C16H16N2O3S/c1-10(2)20-9-12-11-5-3-4-6-13(11)21-14(12)15(19)18-16-17-7-8-22-16/h3-8,10H,9H2,1-2H3,(H,17,18,19)
InChIKeyINHWNFSKVZPEAW-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.07
Rot. Bonds5

About 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2536951) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2536951
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)OCc1c(C(=O)Nc2nccs2)oc2ccccc12
InChIInChI=1S/C16H16N2O3S/c1-10(2)20-9-12-11-5-3-4-6-13(11)21-14(12)15(19)18-16-17-7-8-22-16/h3-8,10H,9H2,1-2H3,(H,17,18,19)
InChIKeyINHWNFSKVZPEAW-UHFFFAOYSA-N
XLogP4.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 2536951) is 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is CC(C)OCc1c(C(=O)Nc2nccs2)oc2ccccc12.
What is the InChIKey of 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is INHWNFSKVZPEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10(2)20-9-12-11-5-3-4-6-13(11)21-14(12)15(19)18-16-17-7-8-22-16/h3-8,10H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2536951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).