N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide

C16H14N2O3S — CID 17457516

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cnc(NC(=O)c2occc2COc2ccccc2)s1
InChIInChI=1S/C16H14N2O3S/c1-11-9-17-16(22-11)18-15(19)14-12(7-8-20-14)10-21-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyNDYVVJVUDSDUQH-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.88
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 17457516) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID17457516
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cnc(NC(=O)c2occc2COc2ccccc2)s1
InChIInChI=1S/C16H14N2O3S/c1-11-9-17-16(22-11)18-15(19)14-12(7-8-20-14)10-21-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyNDYVVJVUDSDUQH-UHFFFAOYSA-N
XLogP3.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide (CID 17457516) is N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide is Cc1cnc(NC(=O)c2occc2COc2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is NDYVVJVUDSDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-11-9-17-16(22-11)18-15(19)14-12(7-8-20-14)10-21-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 17457516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).