3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C19H18N4O4S2 — CID 42951143

IUPAC3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCSC(C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)no1
InChIInChI=1S/C19H18N4O4S2/c1-10-8-14(23-27-10)20-15(24)5-7-28-11(2)17-21-18(25)16-12(9-29-19(16)22-17)13-4-3-6-26-13/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,20,23,24)(H,21,22,25)
InChIKeyMMUXMPJVEPLCCS-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.36
Rot. Bonds7

About 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 42951143) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID42951143
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC Name3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCSC(C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)no1
InChIInChI=1S/C19H18N4O4S2/c1-10-8-14(23-27-10)20-15(24)5-7-28-11(2)17-21-18(25)16-12(9-29-19(16)22-17)13-4-3-6-26-13/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,20,23,24)(H,21,22,25)
InChIKeyMMUXMPJVEPLCCS-UHFFFAOYSA-N
XLogP4.36
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 42951143) is 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCSC(C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)no1.
What is the InChIKey of 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is MMUXMPJVEPLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-10-8-14(23-27-10)20-15(24)5-7-28-11(2)17-21-18(25)16-12(9-29-19(16)22-17)13-4-3-6-26-13/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,20,23,24)(H,21,22,25).
What are the key properties of 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 430.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 42951143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).