(2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide

C17H23N5O3S — CID 143076764

IUPAC(2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide
SMILESCC/C=C(\C/C(O)=C(\C)C(N)=O)Nc1nsnc1NCc1ccc(C)o1
InChIInChI=1S/C17H23N5O3S/c1-4-5-12(8-14(23)11(3)15(18)24)20-17-16(21-26-22-17)19-9-13-7-6-10(2)25-13/h5-7,23H,4,8-9H2,1-3H3,(H2,18,24)(H,19,21)(H,20,22)/b12-5+,14-11-
InChIKeyFPGYYPOSBPIUFZ-SFSZHSGXSA-N
MW377.47 g/mol
LogP3.46
Rot. Bonds9

About (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide

(2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide (PubChem CID 143076764) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide.

Molecular Properties

Compound Name(2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide
PubChem CID143076764
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name(2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide
SMILESCC/C=C(\C/C(O)=C(\C)C(N)=O)Nc1nsnc1NCc1ccc(C)o1
InChIInChI=1S/C17H23N5O3S/c1-4-5-12(8-14(23)11(3)15(18)24)20-17-16(21-26-22-17)19-9-13-7-6-10(2)25-13/h5-7,23H,4,8-9H2,1-3H3,(H2,18,24)(H,19,21)(H,20,22)/b12-5+,14-11-
InChIKeyFPGYYPOSBPIUFZ-SFSZHSGXSA-N
XLogP3.46
TPSA126.30 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide with MolForge

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Related Compounds

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5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid
CID 62524581
4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid
CID 62523902
5-[(5-methylfuran-2-yl)methylcarbamoylamino]-3-pentylsulfanyl-1,2-thiazole-4-carboxamide
CID 68510966
3-amino-2-[(5-methylfuran-2-yl)methylamino]benzamide
CID 112578801
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 113332915
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CID 55081894
(Z)-3-methyl-4-[(5-methylfuran-2-yl)methylamino]but-2-enoic acid
CID 103249273
4-chloro-2-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol
CID 154544953
3-amino-2-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-sulfanylidenepropanamide
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6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide
CID 107547305
5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975409

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide?
The IUPAC name of (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide (CID 143076764) is (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide.
What is the SMILES notation for (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide?
The canonical SMILES for (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide is CC/C=C(\C/C(O)=C(\C)C(N)=O)Nc1nsnc1NCc1ccc(C)o1.
What is the InChIKey of (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide?
The InChIKey is FPGYYPOSBPIUFZ-SFSZHSGXSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-4-5-12(8-14(23)11(3)15(18)24)20-17-16(21-26-22-17)19-9-13-7-6-10(2)25-13/h5-7,23H,4,8-9H2,1-3H3,(H2,18,24)(H,19,21)(H,20,22)/b12-5+,14-11-.
What are the key properties of (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide?
(2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide has a molecular weight of 377.47 g/mol, XLogP of 3.46, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide is sourced from PubChem (CID 143076764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).