[3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone

C17H20N2O4S2 — CID 4294558

IUPAC[3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone
SMILESCc1sc2c(c1C)CN(C1CCS(=O)(=O)C1)CN2C(=O)c1ccco1
InChIInChI=1S/C17H20N2O4S2/c1-11-12(2)24-17-14(11)8-18(13-5-7-25(21,22)9-13)10-19(17)16(20)15-4-3-6-23-15/h3-4,6,13H,5,7-10H2,1-2H3
InChIKeyHISLVHMPEDGTCU-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.56
Rot. Bonds2

About [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone

[3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone (PubChem CID 4294558) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone
PubChem CID4294558
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name[3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone
SMILESCc1sc2c(c1C)CN(C1CCS(=O)(=O)C1)CN2C(=O)c1ccco1
InChIInChI=1S/C17H20N2O4S2/c1-11-12(2)24-17-14(11)8-18(13-5-7-25(21,22)9-13)10-19(17)16(20)15-4-3-6-23-15/h3-4,6,13H,5,7-10H2,1-2H3
InChIKeyHISLVHMPEDGTCU-UHFFFAOYSA-N
XLogP2.56
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-phenylmethanone
CID 3638202
[5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone
CID 1187953
[3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(4-methoxyphenyl)methanone
CID 3583874
[5,6-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-(furan-2-yl)methanone
CID 7164243
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
CID 43227354
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108989783
4-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106465
N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
CID 2790131
N-(1,1-dioxothiolan-3-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 110706168
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 47126271
N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide
CID 109026593
1-(1,1-dioxothiolan-3-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 21008296

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone (CID 4294558) is [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone is Cc1sc2c(c1C)CN(C1CCS(=O)(=O)C1)CN2C(=O)c1ccco1.
What is the InChIKey of [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is HISLVHMPEDGTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-11-12(2)24-17-14(11)8-18(13-5-7-25(21,22)9-13)10-19(17)16(20)15-4-3-6-23-15/h3-4,6,13H,5,7-10H2,1-2H3.
What are the key properties of [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone?
[3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 380.49 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 4294558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).