2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide

C16H16N2O2S2 — CID 71795391

IUPAC2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2sc(-c3cccs3)nc2C)c(C)o1
InChIInChI=1S/C16H16N2O2S2/c1-9-7-12(11(3)20-9)15(19)17-8-14-10(2)18-16(22-14)13-5-4-6-21-13/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyHBZYGVWEHJJRAG-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.32
Rot. Bonds4

About 2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide

2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide (PubChem CID 71795391) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
PubChem CID71795391
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2sc(-c3cccs3)nc2C)c(C)o1
InChIInChI=1S/C16H16N2O2S2/c1-9-7-12(11(3)20-9)15(19)17-8-14-10(2)18-16(22-14)13-5-4-6-21-13/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyHBZYGVWEHJJRAG-UHFFFAOYSA-N
XLogP4.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide (CID 71795391) is 2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide is Cc1cc(C(=O)NCc2sc(-c3cccs3)nc2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
The InChIKey is HBZYGVWEHJJRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-9-7-12(11(3)20-9)15(19)17-8-14-10(2)18-16(22-14)13-5-4-6-21-13/h4-7H,8H2,1-3H3,(H,17,19).
What are the key properties of 2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 71795391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).