N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide

C17H16N4OS2 — CID 110535346

IUPACN-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(N/N=C\c3sccc3C)n2)cc1
InChIInChI=1S/C17H16N4OS2/c1-11-7-8-23-16(11)9-18-21-17-20-15(10-24-17)13-3-5-14(6-4-13)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,20,21)/b18-9-
InChIKeyZUUOWZGVUJLXAM-NVMNQCDNSA-N
MW356.48 g/mol
LogP4.58
Rot. Bonds5

About N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 110535346) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID110535346
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC NameN-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(N/N=C\c3sccc3C)n2)cc1
InChIInChI=1S/C17H16N4OS2/c1-11-7-8-23-16(11)9-18-21-17-20-15(10-24-17)13-3-5-14(6-4-13)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,20,21)/b18-9-
InChIKeyZUUOWZGVUJLXAM-NVMNQCDNSA-N
XLogP4.58
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(2-propan-2-ylidenehydrazinyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4540074
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-[2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110530809
N-[4-[2-(4-hydroxy-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 972851
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881280
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24529270
4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6308176
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168578363
N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 3674330
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 6229470

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide (CID 110535346) is N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(N/N=C\c3sccc3C)n2)cc1.
What is the InChIKey of N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is ZUUOWZGVUJLXAM-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-11-7-8-23-16(11)9-18-21-17-20-15(10-24-17)13-3-5-14(6-4-13)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,20,21)/b18-9-.
What are the key properties of N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 356.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 110535346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).