N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide

C14H18N2O3S — CID 91788386

IUPACN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)c2cc(C)oc2C)s1
InChIInChI=1S/C14H18N2O3S/c1-8-5-11(10(3)19-8)14(17)15-6-12-9(2)16-13(20-12)7-18-4/h5H,6-7H2,1-4H3,(H,15,17)
InChIKeyQQWNUAHMENUKPF-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.74
Rot. Bonds5

About N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide

N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 91788386) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID91788386
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)c2cc(C)oc2C)s1
InChIInChI=1S/C14H18N2O3S/c1-8-5-11(10(3)19-8)14(17)15-6-12-9(2)16-13(20-12)7-18-4/h5H,6-7H2,1-4H3,(H,15,17)
InChIKeyQQWNUAHMENUKPF-UHFFFAOYSA-N
XLogP2.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 91788386) is N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide is COCc1nc(C)c(CNC(=O)c2cc(C)oc2C)s1.
What is the InChIKey of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is QQWNUAHMENUKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-8-5-11(10(3)19-8)14(17)15-6-12-9(2)16-13(20-12)7-18-4/h5H,6-7H2,1-4H3,(H,15,17).
What are the key properties of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 91788386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).