N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C13H16N2O2S2 — CID 39968584

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C13H16N2O2S2/c1-9-7-18-13(14-9)19-8-12(16)15(3)6-11-5-4-10(2)17-11/h4-5,7H,6,8H2,1-3H3
InChIKeyBPJFGCZNJQVAAM-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.10
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 39968584) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID39968584
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C13H16N2O2S2/c1-9-7-18-13(14-9)19-8-12(16)15(3)6-11-5-4-10(2)17-11/h4-5,7H,6,8H2,1-3H3
InChIKeyBPJFGCZNJQVAAM-UHFFFAOYSA-N
XLogP3.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 39968584) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)N(C)Cc2ccc(C)o2)n1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is BPJFGCZNJQVAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9-7-18-13(14-9)19-8-12(16)15(3)6-11-5-4-10(2)17-11/h4-5,7H,6,8H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 296.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 39968584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).