methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate

C14H12N2O4S2 — CID 45491813

IUPACmethyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccco1
InChIInChI=1S/C14H12N2O4S2/c1-19-11(17)8-22-14-15-10-4-6-21-12(10)13(18)16(14)7-9-3-2-5-20-9/h2-6H,7-8H2,1H3
InChIKeyAPNDALGFLUCWSD-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.36
Rot. Bonds5

About methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate

methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate (PubChem CID 45491813) has the molecular formula C14H12N2O4S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate
PubChem CID45491813
Molecular FormulaC14H12N2O4S2
Molecular Weight336.39 g/mol
Exact Mass336.02
IUPAC Namemethyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccco1
InChIInChI=1S/C14H12N2O4S2/c1-19-11(17)8-22-14-15-10-4-6-21-12(10)13(18)16(14)7-9-3-2-5-20-9/h2-6H,7-8H2,1H3
InChIKeyAPNDALGFLUCWSD-UHFFFAOYSA-N
XLogP2.36
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate with MolForge

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 53335521
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2490048
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 16510952
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1071959
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 46567854
methyl 3-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate
CID 24521595
methyl 3-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 7644654
2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488794
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16511040
N-(3,5-dimethoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46922197
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 35198403
methyl 3-(furan-2-ylmethyl)-2-(2-methylpropylsulfanyl)-4-oxoquinazoline-7-carboxylate
CID 7848917

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate?
The IUPAC name of methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate (CID 45491813) is methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate is COC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccco1.
What is the InChIKey of methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate?
The InChIKey is APNDALGFLUCWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S2/c1-19-11(17)8-22-14-15-10-4-6-21-12(10)13(18)16(14)7-9-3-2-5-20-9/h2-6H,7-8H2,1H3.
What are the key properties of methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate?
methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate has a molecular weight of 336.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate is sourced from PubChem (CID 45491813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).