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

C17H17N5O3S — CID 9351271

IUPACN-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(/C=N\N2CC(=O)NC2=O)cs1)c1cccc(C)c1C
InChIInChI=1S/C17H17N5O3S/c1-10-5-4-6-14(11(10)2)22(12(3)23)17-19-13(9-26-17)7-18-21-8-15(24)20-16(21)25/h4-7,9H,8H2,1-3H3,(H,20,24,25)/b18-7-
InChIKeyVLDLTWPXYXJJJR-WSVATBPTSA-N
MW371.42 g/mol
LogP2.33
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 9351271) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID9351271
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(/C=N\N2CC(=O)NC2=O)cs1)c1cccc(C)c1C
InChIInChI=1S/C17H17N5O3S/c1-10-5-4-6-14(11(10)2)22(12(3)23)17-19-13(9-26-17)7-18-21-8-15(24)20-16(21)25/h4-7,9H,8H2,1-3H3,(H,20,24,25)/b18-7-
InChIKeyVLDLTWPXYXJJJR-WSVATBPTSA-N
XLogP2.33
TPSA94.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 9351274
N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9358063
N-(2,3-dimethylphenyl)-N-[4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 135888895
N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide
CID 9058831
N-(2,3-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 8547874
N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide
CID 9120876
N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17494852
N-[4-[(2,6-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 24684744
N-(2,3-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728155
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl (Z)-2-methylpent-2-enoate
CID 56511208
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide (CID 9351271) is N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(/C=N\N2CC(=O)NC2=O)cs1)c1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VLDLTWPXYXJJJR-WSVATBPTSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-10-5-4-6-14(11(10)2)22(12(3)23)17-19-13(9-26-17)7-18-21-8-15(24)20-16(21)25/h4-7,9H,8H2,1-3H3,(H,20,24,25)/b18-7-.
What are the key properties of N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9351271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).