N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide

C17H16N2O4S — CID 861942

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(N(C)C(=O)c3ccco3)n2)c1
InChIInChI=1S/C17H16N2O4S/c1-19(16(20)15-5-4-8-23-15)17-18-13(10-24-17)12-9-11(21-2)6-7-14(12)22-3/h4-10H,1-3H3
InChIKeyXQPDDMZJSNWAKI-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.70
Rot. Bonds5

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide (PubChem CID 861942) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide
PubChem CID861942
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(N(C)C(=O)c3ccco3)n2)c1
InChIInChI=1S/C17H16N2O4S/c1-19(16(20)15-5-4-8-23-15)17-18-13(10-24-17)12-9-11(21-2)6-7-14(12)22-3/h4-10H,1-3H3
InChIKeyXQPDDMZJSNWAKI-UHFFFAOYSA-N
XLogP3.70
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide (CID 861942) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide is COc1ccc(OC)c(-c2csc(N(C)C(=O)c3ccco3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
The InChIKey is XQPDDMZJSNWAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-19(16(20)15-5-4-8-23-15)17-18-13(10-24-17)12-9-11(21-2)6-7-14(12)22-3/h4-10H,1-3H3.
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 861942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).