2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine

C19H28N6O2S2 — CID 70470210

IUPAC2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine
SMILESCN(C)Cc1ccc(CSCCNN2C=CN(NCCc3ccncc3)S2=O)o1
InChIInChI=1S/C19H28N6O2S2/c1-23(2)15-18-3-4-19(27-18)16-28-14-11-22-25-13-12-24(29(25)26)21-10-7-17-5-8-20-9-6-17/h3-6,8-9,12-13,21-22H,7,10-11,14-16H2,1-2H3
InChIKeyWUVCNDGKIZCJDF-UHFFFAOYSA-N
MW436.61 g/mol
LogP1.89
Rot. Bonds12

About 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine

2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine (PubChem CID 70470210) has the molecular formula C19H28N6O2S2 and a molecular weight of 436.61 g/mol. Its IUPAC name is 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine
PubChem CID70470210
Molecular FormulaC19H28N6O2S2
Molecular Weight436.61 g/mol
Exact Mass436.17
IUPAC Name2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine
SMILESCN(C)Cc1ccc(CSCCNN2C=CN(NCCc3ccncc3)S2=O)o1
InChIInChI=1S/C19H28N6O2S2/c1-23(2)15-18-3-4-19(27-18)16-28-14-11-22-25-13-12-24(29(25)26)21-10-7-17-5-8-20-9-6-17/h3-6,8-9,12-13,21-22H,7,10-11,14-16H2,1-2H3
InChIKeyWUVCNDGKIZCJDF-UHFFFAOYSA-N
XLogP1.89
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.61
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine with MolForge

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Related Compounds

3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-N-ethyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
CID 15961201
3-N,4-N-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,2,5-oxadiazole-3,4-diamine
CID 14434275
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridine-3-carboxamide
CID 12831860
4-amino-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-1-oxo-1,2-thiazole-5-carboxylic acid
CID 19806672
5-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,2,4-oxadiazole-3,5-diamine
CID 13486642
azane;1-[5-(ethylsulfanylmethyl)furan-2-yl]-N,N-dimethylmethanamine
CID 21285273
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyridin-4-ylethanamine
CID 54944027
5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide
CID 154846116
2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-6-fluorobenzonitrile
CID 15005007
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]thiourea
CID 5159621
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 137345085
2-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]butyl]isoindole-1,3-dione
CID 23452155

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine (CID 70470210) is 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine is CN(C)Cc1ccc(CSCCNN2C=CN(NCCc3ccncc3)S2=O)o1.
What is the InChIKey of 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine?
The InChIKey is WUVCNDGKIZCJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S2/c1-23(2)15-18-3-4-19(27-18)16-28-14-11-22-25-13-12-24(29(25)26)21-10-7-17-5-8-20-9-6-17/h3-6,8-9,12-13,21-22H,7,10-11,14-16H2,1-2H3.
What are the key properties of 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine?
2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine has a molecular weight of 436.61 g/mol, XLogP of 1.89, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-5-N-(2-pyridin-4-ylethyl)-1,2,5-thiadiazole-2,5-diamine is sourced from PubChem (CID 70470210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).