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

C12H14N2O2S2 — CID 47096472

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N(C)Cc2ccco2)n1
InChIInChI=1S/C12H14N2O2S2/c1-9-7-17-12(13-9)18-8-11(15)14(2)6-10-4-3-5-16-10/h3-5,7H,6,8H2,1-2H3
InChIKeyOHVXNCQQXHXKAV-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.80
Rot. Bonds5

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

N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 47096472) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID47096472
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N(C)Cc2ccco2)n1
InChIInChI=1S/C12H14N2O2S2/c1-9-7-17-12(13-9)18-8-11(15)14(2)6-10-4-3-5-16-10/h3-5,7H,6,8H2,1-2H3
InChIKeyOHVXNCQQXHXKAV-UHFFFAOYSA-N
XLogP2.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 47096472) is N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)N(C)Cc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OHVXNCQQXHXKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-9-7-17-12(13-9)18-8-11(15)14(2)6-10-4-3-5-16-10/h3-5,7H,6,8H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 47096472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).