1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine

C14H22N4O4S2 — CID 135849639

IUPAC1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine
SMILESCOC1=NS(=O)(=O)N/C1=N/CCSCc1oc(CN(C)C)cc1C
InChIInChI=1S/C14H22N4O4S2/c1-10-7-11(8-18(2)3)22-12(10)9-23-6-5-15-13-14(21-4)17-24(19,20)16-13/h7H,5-6,8-9H2,1-4H3,(H,15,16)
InChIKeyYJVUTVVHFPNLKM-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.17
Rot. Bonds7

About 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine

1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine (PubChem CID 135849639) has the molecular formula C14H22N4O4S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine
PubChem CID135849639
Molecular FormulaC14H22N4O4S2
Molecular Weight374.49 g/mol
Exact Mass374.11
IUPAC Name1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine
SMILESCOC1=NS(=O)(=O)N/C1=N/CCSCc1oc(CN(C)C)cc1C
InChIInChI=1S/C14H22N4O4S2/c1-10-7-11(8-18(2)3)22-12(10)9-23-6-5-15-13-14(21-4)17-24(19,20)16-13/h7H,5-6,8-9H2,1-4H3,(H,15,16)
InChIKeyYJVUTVVHFPNLKM-UHFFFAOYSA-N
XLogP1.17
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-1H-imidazol-4-yl]methanol
CID 135849629
2-[2-[[5-[(dimethylamino)methyl]-4-methylfuran-2-yl]methylsulfanyl]ethyl]-1-methyl-1-methylsulfonylguanidine
CID 20570913
1-[5-[2-[[1,1-dioxo-4-(2,2,2-trifluoroethylimino)-1,2,5-thiadiazolidin-3-ylidene]amino]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
CID 135849594
N'-[2-[[5-[(dimethylamino)methyl]-4-(methoxymethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitropropanimidamide
CID 56979257
N,N-dimethyl-1-[5-[2-[(2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-ylidene)amino]ethylsulfanylmethyl]furan-2-yl]methanamine
CID 135988460
1-[2-[[5-[(dimethylamino)methyl]-4-methylfuran-2-yl]methylsulfanyl]ethyl]-2-nitroguanidine
CID 173433557
3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylimino]-1,1-dioxo-1λ6,4,2-benzodithiazine-7-sulfonamide
CID 136821701
N-[2-[[5-[(dimethylamino)methyl]-4-methylfuran-2-yl]methylsulfanyl]ethyl]-1-methyltetrazol-5-amine
CID 12797459
4-N-methyl-3-N-[2-[(3-methyl-2-pyridinyl)methylsulfanyl]ethyl]-1,1-dioxo-1,2,5-thiadiazolidine-3,4-diimine
CID 135849632
N-[[5-[(dimethylamino)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62418013
methyl N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate
CID 134132168
4-N-methyl-3-N-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]-1,1-dioxo-1,2,5-thiadiazolidine-3,4-diimine
CID 135709800

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine (CID 135849639) is 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine is COC1=NS(=O)(=O)N/C1=N/CCSCc1oc(CN(C)C)cc1C.
What is the InChIKey of 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine?
The InChIKey is YJVUTVVHFPNLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S2/c1-10-7-11(8-18(2)3)22-12(10)9-23-6-5-15-13-14(21-4)17-24(19,20)16-13/h7H,5-6,8-9H2,1-4H3,(H,15,16).
What are the key properties of 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine?
1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine has a molecular weight of 374.49 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-ylidene)amino]ethylsulfanylmethyl]-4-methylfuran-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 135849639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).