N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C12H13N3O3S — CID 135404091

IUPACN-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1
InChIInChI=1S/C12H13N3O3S/c1-8-5-10(16)15-12(14-8)19-7-11(17)13-6-9-3-2-4-18-9/h2-5H,6-7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyRGLJGXSVTRVHLW-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.08
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135404091) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135404091
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1
InChIInChI=1S/C12H13N3O3S/c1-8-5-10(16)15-12(14-8)19-7-11(17)13-6-9-3-2-4-18-9/h2-5H,6-7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyRGLJGXSVTRVHLW-UHFFFAOYSA-N
XLogP1.08
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-3-ET-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 3245795
N-(furan-2-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860102
3-(Furan-2-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
CID 23724183
N-(4-amino-2-((2-hydroxyethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135831405
3-(2-Furylmethyl)-2-[(2-methoxyphenyl)imino]-1,3-thiazolan-4-one
CID 327073
N-(3-acetyl-2-(2-furyl)-1,3,4-thiadiazolin-5-yl)acetamide
CID 3676154
N-(2-furylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1,6-dihydropyrimidin-2-yl)thio]acetamide
CID 5058790
3-Allyl-4-amino-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752647
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 650676
N-Furan-2-ylmethyl-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-acetamide
CID 653402
N-Furan-2-ylmethyl-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655043
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 766893

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135404091) is N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is RGLJGXSVTRVHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-5-10(16)15-12(14-8)19-7-11(17)13-6-9-3-2-4-18-9/h2-5H,6-7H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 279.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135404091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).