1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea

C14H16N4O4S — CID 121198954

IUPAC1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
SMILESO=C(NCc1nccnc1-c1ccco1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H16N4O4S/c19-14(18-10-3-7-23(20,21)9-10)17-8-11-13(16-5-4-15-11)12-2-1-6-22-12/h1-2,4-6,10H,3,7-9H2,(H2,17,18,19)
InChIKeyUNOLXWIRRDZGFV-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.72
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea

1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea (PubChem CID 121198954) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
PubChem CID121198954
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
SMILESO=C(NCc1nccnc1-c1ccco1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H16N4O4S/c19-14(18-10-3-7-23(20,21)9-10)17-8-11-13(16-5-4-15-11)12-2-1-6-22-12/h1-2,4-6,10H,3,7-9H2,(H2,17,18,19)
InChIKeyUNOLXWIRRDZGFV-UHFFFAOYSA-N
XLogP0.72
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea with MolForge

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Related Compounds

1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
CID 121199004
2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide
CID 121198813
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
CID 121023120
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831
3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198851
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 119105910
1-(1,1-dioxothiolan-3-yl)-3-[3-(pyridin-2-ylamino)propyl]urea
CID 131962718
1-[(3-chlorophenyl)methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 47133469
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51973203
3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198864
6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097102

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea (CID 121198954) is 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea is O=C(NCc1nccnc1-c1ccco1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea?
The InChIKey is UNOLXWIRRDZGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c19-14(18-10-3-7-23(20,21)9-10)17-8-11-13(16-5-4-15-11)12-2-1-6-22-12/h1-2,4-6,10H,3,7-9H2,(H2,17,18,19).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea?
1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea has a molecular weight of 336.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea is sourced from PubChem (CID 121198954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).