N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide

C16H23N5O3S — CID 26396980

IUPACN-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
SMILESCn1c(CCNC(=O)c2ccco2)nnc1SCCN1CCOCC1
InChIInChI=1S/C16H23N5O3S/c1-20-14(4-5-17-15(22)13-3-2-9-24-13)18-19-16(20)25-12-8-21-6-10-23-11-7-21/h2-3,9H,4-8,10-12H2,1H3,(H,17,22)
InChIKeyZKTYXWVDAZQOFX-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.80
Rot. Bonds8

About N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide

N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide (PubChem CID 26396980) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
PubChem CID26396980
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC NameN-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
SMILESCn1c(CCNC(=O)c2ccco2)nnc1SCCN1CCOCC1
InChIInChI=1S/C16H23N5O3S/c1-20-14(4-5-17-15(22)13-3-2-9-24-13)18-19-16(20)25-12-8-21-6-10-23-11-7-21/h2-3,9H,4-8,10-12H2,1H3,(H,17,22)
InChIKeyZKTYXWVDAZQOFX-UHFFFAOYSA-N
XLogP0.80
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[6-(2-morpholin-4-ylethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide
CID 30851593
N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
CID 6489568
2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid
CID 42669779
[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63315585
N-[4-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide
CID 3168874
2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 838604
N-[[5-[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 986431
4-[2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine;oxalic acid
CID 648253
N-[[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 26864415
N-[[5-[2-(3-hydroxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 17019328
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[2-[4-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
CID 42481558

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide (CID 26396980) is N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide is Cn1c(CCNC(=O)c2ccco2)nnc1SCCN1CCOCC1.
What is the InChIKey of N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide?
The InChIKey is ZKTYXWVDAZQOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-20-14(4-5-17-15(22)13-3-2-9-24-13)18-19-16(20)25-12-8-21-6-10-23-11-7-21/h2-3,9H,4-8,10-12H2,1H3,(H,17,22).
What are the key properties of N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide?
N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 26396980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).