N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide

C15H22N6O3S — CID 75595329

IUPACN-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
SMILESCOCC1CC(CN(C)C(=O)c2ccc(CSc3ncn[nH]3)o2)NN1
InChIInChI=1S/C15H22N6O3S/c1-21(6-10-5-11(7-23-2)19-18-10)14(22)13-4-3-12(24-13)8-25-15-16-9-17-20-15/h3-4,9-11,18-19H,5-8H2,1-2H3,(H,16,17,20)
InChIKeyCZDJZYMNGHRLCO-UHFFFAOYSA-N
MW366.45 g/mol
LogP0.64
Rot. Bonds8

About N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide

N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide (PubChem CID 75595329) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
PubChem CID75595329
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC NameN-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
SMILESCOCC1CC(CN(C)C(=O)c2ccc(CSc3ncn[nH]3)o2)NN1
InChIInChI=1S/C15H22N6O3S/c1-21(6-10-5-11(7-23-2)19-18-10)14(22)13-4-3-12(24-13)8-25-15-16-9-17-20-15/h3-4,9-11,18-19H,5-8H2,1-2H3,(H,16,17,20)
InChIKeyCZDJZYMNGHRLCO-UHFFFAOYSA-N
XLogP0.64
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide (CID 75595329) is N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide is COCC1CC(CN(C)C(=O)c2ccc(CSc3ncn[nH]3)o2)NN1.
What is the InChIKey of N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is CZDJZYMNGHRLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-21(6-10-5-11(7-23-2)19-18-10)14(22)13-4-3-12(24-13)8-25-15-16-9-17-20-15/h3-4,9-11,18-19H,5-8H2,1-2H3,(H,16,17,20).
What are the key properties of N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 75595329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).