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

C15H17N5O2S — CID 9017311

IUPACN-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=N\NC(N)=O)cs1
InChIInChI=1S/C15H17N5O2S/c1-9-4-5-13(6-10(9)2)20(11(3)21)15-18-12(8-23-15)7-17-19-14(16)22/h4-8H,1-3H3,(H3,16,19,22)/b17-7-
InChIKeyPHHXLARCIUOPDP-IDUWFGFVSA-N
MW331.40 g/mol
LogP2.45
Rot. Bonds4

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

N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 9017311) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID9017311
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=N\NC(N)=O)cs1
InChIInChI=1S/C15H17N5O2S/c1-9-4-5-13(6-10(9)2)20(11(3)21)15-18-12(8-23-15)7-17-19-14(16)22/h4-8H,1-3H3,(H3,16,19,22)/b17-7-
InChIKeyPHHXLARCIUOPDP-IDUWFGFVSA-N
XLogP2.45
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(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
N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 9017330
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 9076378
N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide
CID 9120876
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 9012573
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 11935658
N-(3,4-dimethylphenyl)-N-[4-[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 8858240
N-[(Z)-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methylideneamino]acetamide
CID 9073997
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 2121621
N-(3-chlorophenyl)-N-[4-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]-1,3-thiazol-2-yl]acetamide
CID 9071789
ethyl N-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]carbamate
CID 9076028

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide (CID 9017311) is N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide is CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=N\NC(N)=O)cs1.
What is the InChIKey of N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is PHHXLARCIUOPDP-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9-4-5-13(6-10(9)2)20(11(3)21)15-18-12(8-23-15)7-17-19-14(16)22/h4-8H,1-3H3,(H3,16,19,22)/b17-7-.
What are the key properties of N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 9017311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).