N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide

C14H15N5O3S — CID 9017330

IUPACN-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2nc(/C=N\NC(N)=O)cs2)cc1
InChIInChI=1S/C14H15N5O3S/c1-9(20)19(11-3-5-12(22-2)6-4-11)14-17-10(8-23-14)7-16-18-13(15)21/h3-8H,1-2H3,(H3,15,18,21)/b16-7-
InChIKeyLYUBVVIIBMGSHT-APSNUPSMSA-N
MW333.37 g/mol
LogP1.84
Rot. Bonds5

About N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide

N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 9017330) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID9017330
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC NameN-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2nc(/C=N\NC(N)=O)cs2)cc1
InChIInChI=1S/C14H15N5O3S/c1-9(20)19(11-3-5-12(22-2)6-4-11)14-17-10(8-23-14)7-16-18-13(15)21/h3-8H,1-2H3,(H3,15,18,21)/b16-7-
InChIKeyLYUBVVIIBMGSHT-APSNUPSMSA-N
XLogP1.84
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.84
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-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 9017311
N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 9069950
N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351884
N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide
CID 9120876
N-[(Z)-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methylideneamino]acetamide
CID 9073997
N-[4-[(Z)-methoxyiminomethyl]-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)acetamide
CID 27718171
N-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-chlorobenzamide
CID 9060219
N-[4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 9175719
N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide
CID 9352695
ethyl N-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]carbamate
CID 9076028
N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175216
N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-fluorobenzamide
CID 9016676

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide (CID 9017330) is N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(C)=O)c2nc(/C=N\NC(N)=O)cs2)cc1.
What is the InChIKey of N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is LYUBVVIIBMGSHT-APSNUPSMSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-9(20)19(11-3-5-12(22-2)6-4-11)14-17-10(8-23-14)7-16-18-13(15)21/h3-8H,1-2H3,(H3,15,18,21)/b16-7-.
What are the key properties of N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 333.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9017330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).