N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

C16H14N4O2S2 — CID 3789976

IUPACN-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(NN=Cc2ccc(O)cc2)nc1-c1cccs1
InChIInChI=1S/C16H14N4O2S2/c1-10(21)18-15-14(13-3-2-8-23-13)19-16(24-15)20-17-9-11-4-6-12(22)7-5-11/h2-9,22H,1H3,(H,18,21)(H,19,20)
InChIKeySWFVPBGTOPXYQV-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.98
Rot. Bonds5

About N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 3789976) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
PubChem CID3789976
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC NameN-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(NN=Cc2ccc(O)cc2)nc1-c1cccs1
InChIInChI=1S/C16H14N4O2S2/c1-10(21)18-15-14(13-3-2-8-23-13)19-16(24-15)20-17-9-11-4-6-12(22)7-5-11/h2-9,22H,1H3,(H,18,21)(H,19,20)
InChIKeySWFVPBGTOPXYQV-UHFFFAOYSA-N
XLogP3.98
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (CID 3789976) is N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is CC(=O)Nc1sc(NN=Cc2ccc(O)cc2)nc1-c1cccs1.
What is the InChIKey of N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is SWFVPBGTOPXYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c1-10(21)18-15-14(13-3-2-8-23-13)19-16(24-15)20-17-9-11-4-6-12(22)7-5-11/h2-9,22H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 3789976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).