N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C17H19N3O2S2 — CID 2539175

IUPACN-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)Cc2ccco2)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H19N3O2S2/c1-10-11(2)24-17-15(10)16(18-12(3)19-17)23-9-14(21)20(4)8-13-6-5-7-22-13/h5-7H,8-9H2,1-4H3
InChIKeyMREINKUEFKZHBN-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.96
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2539175) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2539175
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)Cc2ccco2)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H19N3O2S2/c1-10-11(2)24-17-15(10)16(18-12(3)19-17)23-9-14(21)20(4)8-13-6-5-7-22-13/h5-7H,8-9H2,1-4H3
InChIKeyMREINKUEFKZHBN-UHFFFAOYSA-N
XLogP3.96
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 2539175) is N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)N(C)Cc2ccco2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is MREINKUEFKZHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-10-11(2)24-17-15(10)16(18-12(3)19-17)23-9-14(21)20(4)8-13-6-5-7-22-13/h5-7H,8-9H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 361.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2539175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).