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

C15H12ClN5O3S — CID 9351274

IUPACN-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1cccc(Cl)c1)c1nc(/C=N\N2CC(=O)NC2=O)cs1
InChIInChI=1S/C15H12ClN5O3S/c1-9(22)21(12-4-2-3-10(16)5-12)15-18-11(8-25-15)6-17-20-7-13(23)19-14(20)24/h2-6,8H,7H2,1H3,(H,19,23,24)/b17-6-
InChIKeyPDADBQJMCDNTBP-FMQZQXMHSA-N
MW377.81 g/mol
LogP2.37
Rot. Bonds4

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

N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 9351274) has the molecular formula C15H12ClN5O3S and a molecular weight of 377.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID9351274
Molecular FormulaC15H12ClN5O3S
Molecular Weight377.81 g/mol
Exact Mass377.03
IUPAC NameN-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1cccc(Cl)c1)c1nc(/C=N\N2CC(=O)NC2=O)cs1
InChIInChI=1S/C15H12ClN5O3S/c1-9(22)21(12-4-2-3-10(16)5-12)15-18-11(8-25-15)6-17-20-7-13(23)19-14(20)24/h2-6,8H,7H2,1H3,(H,19,23,24)/b17-6-
InChIKeyPDADBQJMCDNTBP-FMQZQXMHSA-N
XLogP2.37
TPSA94.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 52.37
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-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 9351271
N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 3728040
N-[(Z)-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methylideneamino]acetamide
CID 9073997
N-(3-chlorophenyl)-N-[4-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]-1,3-thiazol-2-yl]acetamide
CID 9071789
2-methoxyethyl (E)-3-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate
CID 18290451
N-[4-[(Z)-methoxyiminomethyl]-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)acetamide
CID 27718171
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]prop-2-enamide
CID 9209863
N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 43025743
N-[4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 26496643
N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide
CID 71909188
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-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide (CID 9351274) is N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1cccc(Cl)c1)c1nc(/C=N\N2CC(=O)NC2=O)cs1.
What is the InChIKey of N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PDADBQJMCDNTBP-FMQZQXMHSA-N. The full InChI is InChI=1S/C15H12ClN5O3S/c1-9(22)21(12-4-2-3-10(16)5-12)15-18-11(8-25-15)6-17-20-7-13(23)19-14(20)24/h2-6,8H,7H2,1H3,(H,19,23,24)/b17-6-.
What are the key properties of N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 377.81 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9351274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).