N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide

C17H15N3O3S2 — CID 135649498

IUPACN-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/N=C/c2sc(=S)n(Cc3ccco3)c2O)c1
InChIInChI=1S/C17H15N3O3S2/c1-11(21)19-13-5-2-4-12(8-13)18-9-15-16(22)20(17(24)25-15)10-14-6-3-7-23-14/h2-9,22H,10H2,1H3,(H,19,21)/b18-9+
InChIKeyNWYQVFFSDKMRIE-GIJQJNRQSA-N
MW373.46 g/mol
LogP4.33
Rot. Bonds5

About N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide

N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide (PubChem CID 135649498) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide
PubChem CID135649498
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC NameN-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/N=C/c2sc(=S)n(Cc3ccco3)c2O)c1
InChIInChI=1S/C17H15N3O3S2/c1-11(21)19-13-5-2-4-12(8-13)18-9-15-16(22)20(17(24)25-15)10-14-6-3-7-23-14/h2-9,22H,10H2,1H3,(H,19,21)/b18-9+
InChIKeyNWYQVFFSDKMRIE-GIJQJNRQSA-N
XLogP4.33
TPSA79.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide (CID 135649498) is N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide is CC(=O)Nc1cccc(/N=C/c2sc(=S)n(Cc3ccco3)c2O)c1.
What is the InChIKey of N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide?
The InChIKey is NWYQVFFSDKMRIE-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-11(21)19-13-5-2-4-12(8-13)18-9-15-16(22)20(17(24)25-15)10-14-6-3-7-23-14/h2-9,22H,10H2,1H3,(H,19,21)/b18-9+.
What are the key properties of N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide?
N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]phenyl]acetamide is sourced from PubChem (CID 135649498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).