2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

C18H17N5O3S2 — CID 23830254

IUPAC2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Sc1nc(-c2ccco2)c(-c2ccco2)[nH]1)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C18H17N5O3S2/c1-3-13(16(24)21-18-23-22-10(2)27-18)28-17-19-14(11-6-4-8-25-11)15(20-17)12-7-5-9-26-12/h4-9,13H,3H2,1-2H3,(H,19,20)(H,21,23,24)
InChIKeyXXNRYGKVRCDVSI-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.60
Rot. Bonds7

About 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 23830254) has the molecular formula C18H17N5O3S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID23830254
Molecular FormulaC18H17N5O3S2
Molecular Weight415.50 g/mol
Exact Mass415.08
IUPAC Name2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Sc1nc(-c2ccco2)c(-c2ccco2)[nH]1)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C18H17N5O3S2/c1-3-13(16(24)21-18-23-22-10(2)27-18)28-17-19-14(11-6-4-8-25-11)15(20-17)12-7-5-9-26-12/h4-9,13H,3H2,1-2H3,(H,19,20)(H,21,23,24)
InChIKeyXXNRYGKVRCDVSI-UHFFFAOYSA-N
XLogP4.60
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide
CID 23743126
4-[2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]benzoic acid
CID 23998139
2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-1-phenothiazin-10-ylbutan-1-one
CID 23773390
2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 136684415
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 2891360
4-[2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23998325
2-(3-aminophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 18894694
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methylphenyl)butanamide
CID 23772265
(2S)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 6406931
2-[[5-cyano-4-(3-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 135433343
(E)-4-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18898808
N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298780

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (CID 23830254) is 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is CCC(Sc1nc(-c2ccco2)c(-c2ccco2)[nH]1)C(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is XXNRYGKVRCDVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S2/c1-3-13(16(24)21-18-23-22-10(2)27-18)28-17-19-14(11-6-4-8-25-11)15(20-17)12-7-5-9-26-12/h4-9,13H,3H2,1-2H3,(H,19,20)(H,21,23,24).
What are the key properties of 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 415.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 23830254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).